SCHEMBL3430197

SCHEMBL3430197

NC(=O)CC1C=COc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR3C1 P04150 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL1574529 0.85 EGFR (0.36) ATMCYP2C9MEN1KMT2AUSP2
SCHEMBL9772861 0.78 HTR2A (0.36) ATMMEN1KMT2AMAOAMAOB
SCHEMBL8389861 0.75 MAPK1 (0.42) CYP2C9MEN1KMT2AMAPK1TSHR
SCHEMBL7444588 0.75 GSK3B (0.43) MEN1KMT2AMAPK1LMNA
SCHEMBL293418 0.74 MAOA (0.32) MAOAMAOB
SCHEMBL294641 0.71 MAOA (0.31) MAOAMAOB
SCHEMBL31753058 0.71 HTR6 (0.50) ATMHSD17B10CYP2C9CYP2C19MAPK1
SCHEMBL8309737 0.71 IDO1 (0.35) MEN1KMT2AMAOAMAOB
SCHEMBL5551716 0.71 ATM (0.41) ATMCYP2C9KMT2ANR3C1HDAC3
Hydrochloric Acid SCHEMBL6130578 0.70 HTR6 (0.49) ATMHSD17B10CYP2C9MEN1KMT2A

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-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed