SCHEMBL9509905

SCHEMBL9509905

CCCCCc1ccc(-c2ccc(C#Cc3ccc(OCC)c(F)c3F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RARB P10826 7/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MTOR P42345 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL9509273 0.99 HSD17B10 (0.50) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509231 0.99 HSD17B10 (0.50) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL7908263 0.97 HSD17B10 (0.43) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9508755 0.96 HSD17B10 (0.46) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509464 0.96 HSD17B10 (0.46) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9512427 0.96 TSHR (0.43) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9512408 0.94 HSD17B10 (0.47) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509291 0.94 HSD17B10 (0.47) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9511465 0.94 ACACB (0.39) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9510178 0.93 HSD17B10 (0.49) HSD17B10TSHRMAPTRAB9AL3MBTL1

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