SCHEMBL29754649

SCHEMBL29754649

CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
ALDH1A1 P00352 6/20 0.67
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 2/20 0.58
CYP3A4 P08684 2/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.54
HSD17B10 Q99714 2/20 0.51
PKM P14618 2/20 0.51
KDM4E B2RXH2 2/20 0.49
PPARG P37231 1/20 0.49
CA2 P00918 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL204946 1.00 TSHR (0.67) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL7059436 0.93 ALDH1A1 (0.59) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL27189850 0.93 TSHR (0.70) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL7805586 0.93 ALDH1A1 (0.77) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL27784225 0.93 TSHR (0.80) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL3014742 0.93 TSHR (0.62) TSHRALDH1A1TDP1L3MBTL1MAPK1
Ethane SCHEMBL28902205 0.92 ALDH1A1 (0.57) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL16044450 0.90 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL29449291 0.90 TDP1 (0.67) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL113328 0.90 TDP1 (0.67) TSHRALDH1A1TDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4686757-A1 INHIBITORS OF EXPRESSION AND/OR FUNCTION e-therapeutics PLC (GB) 2026-02-04 EP disclosed
CN-110799317-B Preparation of adhesive compositions in an extruder 博斯蒂克股份公司 2022-07-08 CN disclosed