SCHEMBL13680466

SCHEMBL13680466

COC(=O)Nc1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
CNR1 P21554 1/20 0.55
CSF1R P07333 1/20 0.53
FLT1 P17948 1/20 0.53
FLT3 P36888 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 3/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
HPGD P15428 2/20 0.49
PORCN Q9H237 1/20 0.48
PLAU P00749 1/20 0.47

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
SCHEMBL13680515 0.89 FAAH (0.66) FAAHALDH1A1CYP3A4MAPK1CNR1
SCHEMBL5425007 0.86 NPC1 (0.55) ALDH1A1MAPK1CNR1CSF1RFLT1
SCHEMBL12812645 0.85 KDM4E (0.55) ALDH1A1CNR1CSF1RFLT1FLT3
SCHEMBL9127154 0.84 HSD17B1 (0.55) CYP3A4CNR1SMN1; SMN2HSD17B1HSD17B2
SCHEMBL8265472 0.83 HSD17B10 (0.66) ALDH1A1CNR1CSF1RFLT1FLT3
SCHEMBL2092941 0.83 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL7251623 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HPGD
SCHEMBL13680497 0.82 KIF11 (0.69) CNR1CSF1RFLT1FLT3KMT2A
SCHEMBL2095614 0.81 ALDH1A1 (0.79) FAAHALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL30589563 0.81 ALDH1A1 (0.79) FAAHALDH1A1CYP3A4MAPK1SMN1; 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 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