SCHEMBL3190736

SCHEMBL3190736

CC(O)(CCC(C)(O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL297345 0.90 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL10617967 0.90 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL3200007 0.90 CYP2C19 (0.50) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL3190448 0.90 SIGMAR1 (0.47) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL15168865 0.89 CYP2C19 (0.42) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL957143 0.88 CYP2C19 (0.44) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL4166810 0.86 TAAR1 (0.50) CYP2C19SMN1; SMN2HIF1ATAAR1SLC6A4
SCHEMBL117473 0.86 CYP2C19 (0.43) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL955632 0.86 TAAR1 (0.50) CYP2C19SMN1; SMN2HIF1ATAAR1SLC6A4
SCHEMBL173021 0.86 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149438-A Quinoxaline and diazole derivatives based on 9, 10-dimethyl-9, 10-ethylene anthracene and preparation method thereof 华东师范大学 2022-03-08 CN claimed
CN-117624516-A Anion exchange resin containing rigid torsion structure and preparation method and application thereof 清华大学 2024-03-01 CN disclosed
CN-115651168-A Phosphine self-provided microporous polymer and application thereof, phosphine self-provided microporous polymer membrane and application thereof 中国科学技术大学 2023-01-31 CN disclosed
CN-114149438-A Quinoxaline and diazole derivatives based on 9, 10-dimethyl-9, 10-ethylene anthracene and preparation method thereof 华东师范大学 2022-03-08 CN disclosed
CN-114149438-A Quinoxaline and diazole derivatives based on 9, 10-dimethyl-9, 10-ethylene anthracene and preparation method thereof 华东师范大学 2022-03-08 CN disclosed
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-20070004816-A1 Photocurable resin composition DSM IP ASSETS B.V. (NL) 2007-01-04 US disclosed
CN-1806208-A Photocurable resin composition DSM IP ASSETS BV (NL) 2006-07-19 CN disclosed
EP-1634124-A1 PHOTOCURABLE RESIN COMPOSITION DSM IP Assets B.V. (NL) 2006-03-15 EP disclosed
WO-2004111733-A1 PHOTOCURABLE RESIN COMPOSITION DSM IP ASSETS B.V. (NL) 2004-12-23 WO disclosed
EP-0901043-B1 Radiation-sensitive resin composition JSR CORP (JP) 2004-10-27 EP disclosed
US-6180316-B1 SUITABLE FOR USE AS CHEMICALLY AMPLIFIED RESIST USED IN MANUFACTURING OF INTEGRATED CIRCUITS JSR CORPORATION (JP) 2001-01-30 US disclosed
US-6120972-A COPOLYMER OF ACRYLIC ESTER AND CARBONATE WITH PHOTOACID GENERATOR FOR PHOTOSENSITIVE ELEMENTS JSR CORPORATION (JP) 2000-09-19 US disclosed
EP-0930541-A1 Radiation sensitive resin composition JSR Corporation (JP) 1999-07-21 EP disclosed
EP-0901043-A1 Radiation-sensitive resin composition JSR Corporation (JP) 1999-03-10 EP disclosed