SCHEMBL16070684

SCHEMBL16070684

C#Cc1ccc(CCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
CA2 P00918 4/20 0.46
CYP4A11 Q02928 2/20 0.43
FFAR1 O14842 2/20 0.39
PPARA Q07869 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20977206 0.94 CA2 (0.47) LTA4HEPHX2CA2CYP4A11FFAR1
SCHEMBL3474860 0.86 CA2 (0.52) CA2CYP4A11FFAR1CYP4F2TDP1
SCHEMBL5179689 0.81 HDAC8 (0.43) CA2FFAR1HDAC8
SCHEMBL239040 0.81 CA2 (0.60) LTA4HEPHX2CA2CYP4A11PPARA
SCHEMBL81846 0.78 TSHR (0.55) LTA4HEPHX2CA2CYP4A11CYP11B1
SCHEMBL712627 0.78 HSD17B10 (0.50) CA2TSHRHSD17B10
SCHEMBL547631 0.78 CA2 (0.58) LTA4HEPHX2CA2CYP4A11PPARA
SCHEMBL3069349 0.77 HSD17B10 (0.37) CA2FFAR1HDAC8TSHRHSD17B10
SCHEMBL31403397 0.77 HSD17B10 (0.49) CA2TSHRHSD17B10
SCHEMBL170113 0.77 HSD17B10 (0.58) CA2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975022-B1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-05-08 EP disclosed
WO-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed
EP-2975022-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2016-01-20 EP disclosed
WO-2014142298-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-09-18 WO disclosed