SCHEMBL69310

SCHEMBL69310

CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 1.00
ALDH1A1 P00352 6/20 0.80
MAPK1 P28482 1/20 0.80
LMNA P02545 3/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
CYP1A2 P05177 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
XBP1 P17861 1/20 0.72
TSHR P16473 2/20 0.71
MAPT P10636 1/20 0.71
KDM4E B2RXH2 1/20 0.71
GLA P06280 1/20 0.71
KMT2A Q03164 2/20 0.70
RAB9A P51151 2/20 0.70
NPC1 O15118 1/20 0.70
POLB P06746 1/20 0.70
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7258078 0.91 HPGD (0.83) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL7252897 0.91 HPGD (0.83) HPGDALDH1A1MAPK1LMNAL3MBTL1
Pyrrole SCHEMBL9108828 0.90 HPGD (0.81) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL1450411 0.89 HPGD (0.80) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL5203823 0.89 ALDH1A1 (1.00) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL2472447 0.89 HPGD (0.80) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL11829885 0.89 ALDH1A1 (1.00) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL27786055 0.89 NPC1 (0.81) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL16453791 0.87 HPGD (0.77) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL5820716 0.87 HPGD (0.77) HPGDALDH1A1MAPK1LMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118352631-A Application of diethyl 2, 4-dimethylpyrrole-3, 5-dicarboxylate 陕西奥林波斯电力能源有限责任公司 2024-07-16 CN claimed
CN-113149884-A Low-cost clean preparation method of 2, 4-dimethylpyrrole-3, 5-diformate 辽宁大学 2021-07-23 CN claimed
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed
US-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 US claimed
CN-116472115-B Ethylene oligomerization process comprising in situ preparation of catalytic composition IFP 新能源公司 2025-04-22 CN disclosed
CN-118352631-A Application of diethyl 2, 4-dimethylpyrrole-3, 5-dicarboxylate 陕西奥林波斯电力能源有限责任公司 2024-07-16 CN disclosed
CN-118352631-A Application of diethyl 2, 4-dimethylpyrrole-3, 5-dicarboxylate 陕西奥林波斯电力能源有限责任公司 2024-07-16 CN disclosed
CN-118352631-A Application of diethyl 2, 4-dimethylpyrrole-3, 5-dicarboxylate 陕西奥林波斯电力能源有限责任公司 2024-07-16 CN disclosed
CN-114502677-B Black particles, black paint, coating film, and black matrix for color filter 积水化学工业株式会社 2023-11-14 CN disclosed
CN-116472115-A Ethylene oligomerization process comprising in situ preparation of catalytic composition IFP 新能源公司 2023-07-21 CN disclosed
CN-113149884-B Method for preparing 2, 4-dimethylpyrrole-3, 5-diformate in low-cost clean mode 辽宁大学 2023-05-26 CN disclosed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO disclosed
EP-0190712-B1 PYRROLE-3-CARBOXYLATE CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-17 EP disclosed
US-4774339-A TRACERS; IMMUNOASSAY; FLUORESCENT DYES MOLECULAR PROBES, INC. (US) 1988-09-27 US disclosed
EP-0190712-A2 Pyrrole-3-carboxylate cardiotonic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1986-08-13 EP disclosed
US-4560700-A Pyrrole-3-carboxylate cardiotonic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1985-12-24 US disclosed
US-4256759-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 US disclosed