SCHEMBL8358798

SCHEMBL8358798

CON(C)C(=O)CCC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.48
ALOX5 P09917 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC6A9 P48067 2/20 0.38
APP P05067 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11157509 0.80 ALDH1A1 (0.47) AOC3ALOX5CHRNB2CHRNA4SLC1A3
SCHEMBL27587442 0.80 CPA3 (0.47) CHRNB2CHRNA4SLC6A3SLC1A3SLC1A2
SCHEMBL4130181 0.80 CPA3 (0.47) CHRNB2CHRNA4SLC6A3SLC1A3SLC1A2
SCHEMBL21094406 0.77 AOC3 (0.47) AOC3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL14985679 0.76 LTA4H (0.47) SLC1A3SLC1A1
SCHEMBL2311799 0.75 MMP9 (0.42) ALOX5APPNPC1RAB9ASLC1A3
SCHEMBL13496240 0.75 SLC6A2 (0.41) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL25434926 0.75 SLC1A3 (0.46) AOC3ALOX5CHRNB2CHRNA4SLC1A3
SCHEMBL18936422 0.75 NPC1 (0.44) ALOX5APPNPC1RAB9AKMT2A
SCHEMBL9980206 0.74 LTA4H (0.38) ALOX5APPNPC1RAB9ASLC1A3

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-5935985-A Phenoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
US-5703099-A TREATMENT OF THROMBOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASES, GASTRIC ULCER OR HYPERTENSION ONO PHARMACEUTICAL CO., LTD. (JP) 1997-12-30 US disclosed