SCHEMBL7987871

SCHEMBL7987871

COC(=O)c1nc(C2CCCCC2)[nH]c1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ADORA1 P30542 2/20 0.42
POLB P06746 2/20 0.42
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4750309 0.89 ERCC1 (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL4749731 0.89 ERCC1 (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL4753564 0.88 ERCC1 (0.45) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL7991847 0.86 ADORA1 (0.47) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL7995205 0.79 RAB9A (0.49) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL7995185 0.77 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1HPGDNPSR1
SCHEMBL13748237 0.76 NPSR1 (0.45) NPC1ALDH1A1NPSR1MAPTKMT2A
SCHEMBL4753462 0.75 CYP2D6 (0.40) RAB9ANPC1ALDH1A1NPSR1HSD17B10
SCHEMBL14273511 0.74 SCN10A (0.41) CYP2D6CYP2C9
SCHEMBL7989981 0.73 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1HPGDNPSR1

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