SCHEMBL13680541

SCHEMBL13680541

CC(=O)Nc1cccc(-c2cccc(C)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.79
CNR1 P21554 1/20 0.63
NQO2 P16083 2/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
RXFP1 Q9HBX9 2/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP17A1 P05093 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
MAPT P10636 1/20 0.54
MGLL Q99685 1/20 0.53
POLB P06746 1/20 0.53
NR4A1 P22736 1/20 0.53

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
SCHEMBL28742509 0.91 HSD17B10 (0.66) HSD17B10CNR1NQO2RAB9ANPC1
SCHEMBL12133 0.89 HSD17B10 (1.00) HSD17B10RAB9ARXFP1ALDH1A1CYP1A2
SCHEMBL30703669 0.89 HSD17B10 (1.00) HSD17B10RAB9ARXFP1ALDH1A1CYP1A2
SCHEMBL8265472 0.88 HSD17B10 (0.66) HSD17B10CNR1RAB9ANPC1RXFP1
SCHEMBL12999591 0.88 NPC1 (0.69) HSD17B10NQO2RAB9ANPC1RXFP1
SCHEMBL13681314 0.87 CNR1 (0.65) HSD17B10CNR1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL3786463 0.85 NQO2 (0.73) HSD17B10CNR1NQO2RAB9ANPC1
SCHEMBL13680547 0.84 CNR1 (0.61) HSD17B10CNR1RXFP1CYP1A2MGLL
SCHEMBL8577619 0.84 SMN1; SMN2 (0.70) HSD17B10CNR1NQO2RAB9ANPC1
SCHEMBL13680515 0.83 FAAH (0.66) HSD17B10CNR1RAB9ANPC1RXFP1

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
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