SCHEMBL28285422

SCHEMBL28285422

CCC(CC)C(=O)OOc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMO O15229 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL27635688 0.76 KDM4E (0.44) FFAR1KDM4EALDH1A1PPARGPPARA
SCHEMBL28285419 0.75 AR (0.53) FFAR1KDM4EALDH1A1PPARGPPARA
SCHEMBL3640380 0.75 TDP1 (0.41) ALDH1A1LMNATSHRMAPT
SCHEMBL30875863 0.74 PPARG (0.66) FFAR1KDM4EALDH1A1PPARGPPARA
SCHEMBL3017400 0.74 PPARG (0.66) FFAR1KDM4EALDH1A1PPARGPPARA
SCHEMBL11540235 0.73 ALDH1A3 (0.43) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL28855741 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHTT
SCHEMBL9191388 0.70 CYP3A4 (0.44) KDM4EALDH1A1PPARGPPARALMNA
SCHEMBL10487443 0.70 KMT2A (0.55) FFAR1ALDH1A1PPARGPPARALMNA
SCHEMBL27515605 0.70 TSHR (0.49) KDM4EALDH1A1LMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563071-A Chemical compound as ATF4 approach restrainer 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 — — CN disclosed
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