SCHEMBL16070685

SCHEMBL16070685

C#Cc1ccc(CCCOC)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL517636 0.88 NR3C1 (0.40) ACACBFFAR1HDAC8HRH3
SCHEMBL4774349 0.81 TSHR (0.54) TSHRHSD17B10
SCHEMBL712627 0.78 HSD17B10 (0.50) TSHRHSD17B10KDM4ELMNATHRA
SCHEMBL28592221 0.77 TDP1 (0.41) TSHRHSD17B10KDM4ELMNATHRA
SCHEMBL6132725 0.77 GAA (0.43) TSHRACACBHRH3
SCHEMBL6133224 0.77 GAA (0.43) TSHRACACBHRH3
SCHEMBL1908681 0.77 THRA (0.35) IDO1LMNATHRATHRBFFAR1
SCHEMBL5179689 0.76 HDAC8 (0.43) FFAR1HDAC8
SCHEMBL31403397 0.76 HSD17B10 (0.49) TSHRHSD17B10KDM4ELMNATHRA
SCHEMBL170113 0.76 HSD17B10 (0.58) TSHRHSD17B10KDM4ELMNATHRA

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
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
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