SCHEMBL9798971

SCHEMBL9798971

Cc1cc2c(c(C)c1C)CCO2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
NLRP3 Q96P20 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL3604621 0.82 ALDH1A1 (0.33) MAOAMAOBALDH1A1CYP1A2NLRP3
SCHEMBL23729554 0.82 MAOA (0.31) MAOAMAOBALDH1A1CYP1A2NLRP3
SCHEMBL3600451 0.82 MAOA (0.31) MAOAMAOBALDH1A1CYP1A2NLRP3
SCHEMBL22306947 0.79 EED (0.30)
SCHEMBL18029587 0.76 NLRP3 (0.33) ALDH1A1NLRP3LMNATP53GAA
SCHEMBL28121913 0.75 HPGD (0.39) MAOBHPGDHSD17B10
SCHEMBL3600857 0.74 UGT2B17 (0.36) MAOAMAOBALDH1A1TSHRKDM4E
SCHEMBL11996624 0.74 MAOA (0.41) MAOAMAOBALDH1A1CYP1A2DRD1
SCHEMBL3601100 0.74 RAB9A (0.35) MAOAMAOBALDH1A1CYP1A2TP53
SCHEMBL18029588 0.74 PARP1 (0.34) ALDH1A1CYP1A2KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
EP-0125059-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-02-27 EP disclosed
EP-0095330-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1987-11-19 EP disclosed
US-4664693-A POSTEMERGENCE ICI AUSTRALIA LIMITED (AU) 1987-05-12 US disclosed
US-4511391-A Cyclohexane-1,3-dione derivatives and their herbicidal compositions and methods ICI AUSTRALIA LIMITED (AU) 1985-04-16 US disclosed
EP-0125059-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP disclosed
EP-0095330-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-11-30 EP disclosed