SCHEMBL23864186

SCHEMBL23864186

C=C(C)c1cc(C#N)ccc1-c1ccc(CCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ LTB4R2 Q9NPC1 1/20 0.39
▸ RARB P10826 3/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ BRS3 P32247 2/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CTRC Q99895 1/20 0.35
▸ HRH3 Q9Y5N1 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
SCHEMBL23864155 0.81 CTRC (0.49) LTB4R2RARBGPR84BRS3DHODH
SCHEMBL23864215 0.79 POLB (0.44) TSHRHSD17B10THRATHRB
SCHEMBL20924365 0.79 HSD17B10 (0.57) TSHRHSD17B10RARBGPR84KDM1A
SCHEMBL2034343 0.75 TSHR (0.86) TSHRHSD17B10RARBHRH3
SCHEMBL10456991 0.75 TSHR (0.86) TSHRHSD17B10RARBHRH3
SCHEMBL10824712 0.75 HSD17B10 (0.68) TSHRHSD17B10RARBGPR84
SCHEMBL11035358 0.74 HSD17B10 (0.57) TSHRHSD17B10RARB
SCHEMBL20152480 0.74 TSHR (0.62) TSHRHSD17B10RARBKDM1AHRH3
SCHEMBL7208756 0.74 TSHR (0.62) TSHRHSD17B10RARBKDM1A
SCHEMBL3854168 0.74 TSHR (0.62) TSHRHSD17B10RARBKDM1A

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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