SCHEMBL13680649

SCHEMBL13680649

CC(=O)c1ccc(-c2cccc(C)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.63
HSD17B2 P37059 10/20 0.63
CYP3A4 P08684 1/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 2/20 0.57
RXFP1 Q9HBX9 2/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGDS O60760 1/20 0.51
ESRRG P62508 2/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5842337 0.87 HPGDS (0.69) HSD17B1HSD17B2MAPTRXFP1TP53
SCHEMBL3097763 0.84 RAB9A (0.67) CYP3A4CYP2A6CYP2C9CYP2C19MAPT
SCHEMBL13525288 0.83 HSD17B1 (0.59) HSD17B1HSD17B2MAPTRXFP1TP53
SCHEMBL12496709 0.83 KDM4E (0.74) HSD17B1HSD17B2MAPTRXFP1TP53
SCHEMBL9910293 0.82 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL15177332 0.81 RAB9A (0.73) CYP3A4CYP2A6CYP2C9CYP2C19MAPT
SCHEMBL2560736 0.81 HDAC6 (0.69) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL13483897 0.81 CYP3A4 (0.55) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL5714339 0.81 CYP3A4 (0.55) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL12994882 0.80 HSD17B1 (0.56) HSD17B1HSD17B2MAPTRXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed