SCHEMBL10453098

SCHEMBL10453098

CCCCCC(C)(C)c1ccccc1Nc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP26A1 O43174 2/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CETP P11597 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8962174 0.83 GAA (0.41) LMNASMN1; SMN2EPHX1ALDH1A1CYP3A4
SCHEMBL8746945 0.82 CNR2 (0.43) CNR1CNR2
SCHEMBL8962086 0.81 ALDH1A1 (0.50) NPC1RAB9ALMNASMN1; SMN2EPHX1
SCHEMBL3356610 0.80 ALDH1A1 (0.49) NPC1RAB9ALMNASMN1; SMN2EPHX1
SCHEMBL871745 0.78 CDC25B (0.42) RAB9ALMNAEPHX1ALDH1A1CYP3A4
SCHEMBL28838185 0.78 ALDH1A1 (0.52) NPC1RAB9AALDH1A1CYP3A4HSD17B10
SCHEMBL1605213 0.77 KDM4E (0.42) RAB9ALMNAEPHX1ALDH1A1CYP3A4
SCHEMBL7004555 0.75 NPC1 (0.49) NPC1RAB9ALMNASMN1; SMN2EPHX1
SCHEMBL1604274 0.74 EPHX1 (0.48) NPC1RAB9ALMNASMN1; SMN2EPHX1
SCHEMBL1664994 0.74 EPHX1 (0.48) NPC1RAB9ALMNASMN1; SMN2EPHX1

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-4954275-A AND POLYMERS CIBA-GEIGY CORPORATION (US) 1990-09-04 US disclosed
US-4889883-A POLYBUTADIENE, POLYISOPRENE, NEOPRENE, STYRENE BLOCK POLYMERS; LUBRICANTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed