SCHEMBL9512427

SCHEMBL9512427

CCCCc1ccc(-c2ccc(C#Cc3ccc(OCC)c(F)c3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 5/20 0.38
ACACB O00763 6/20 0.37
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FFAR1 O14842 2/20 0.34
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 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
SCHEMBL9511465 0.97 ACACB (0.39) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9509905 0.96 HSD17B10 (0.48) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9509231 0.95 HSD17B10 (0.50) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9509273 0.95 HSD17B10 (0.50) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL7908263 0.94 HSD17B10 (0.43) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9511483 0.93 TSHR (0.44) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9510193 0.93 TSHR (0.41) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9508755 0.92 HSD17B10 (0.46) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9509464 0.92 HSD17B10 (0.46) TSHRHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL9508771 0.92 ACACB (0.39) TSHRHSD17B10ACACBFFAR1

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-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed