SCHEMBL7991847

SCHEMBL7991847

Cc1ccc(-c2[nH]c(C3CCCCC3)nc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7987871 0.86 RAB9A (0.43) ADORA1NPC1RAB9AMAPK13RAF1
SCHEMBL7995205 0.77 RAB9A (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4750309 0.77 ERCC1 (0.44) ADORA1CYP2D6CYP2C9ADORA3ADORA2A
SCHEMBL4749731 0.77 ERCC1 (0.44) ADORA1CYP2D6CYP2C9ADORA3ADORA2A
SCHEMBL4753564 0.75 ERCC1 (0.45) ADORA1ADORA3ADORA2AALDH1A1HPGD
SCHEMBL7977822 0.75 KDM4E (0.47) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL8963574 0.72 PDE2A (0.42) ADORA1MAPK14ADORA3ADORA2AKMT2A
SCHEMBL20376630 0.72 KDM4E (0.47) RAB9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL7995189 0.71 KDM4E (0.43) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL7978027 0.71 KDM4E (0.67) MAPK14MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed