SCHEMBL9509464

SCHEMBL9509464

CCCCCCCc1ccc(C#Cc2ccc(OCC)c(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
HSPD1 P10809 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL9508755 1.00 HSD17B10 (0.46) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL7908263 0.99 HSD17B10 (0.43) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509273 0.97 HSD17B10 (0.50) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509231 0.97 HSD17B10 (0.50) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509905 0.96 HSD17B10 (0.48) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9511465 0.95 ACACB (0.39) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9512402 0.94 HSD17B10 (0.45) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9509482 0.94 HSD17B10 (0.45) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9512346 0.94 HSD17B10 (0.45) HSD17B10TSHRMAPTRAB9AL3MBTL1
SCHEMBL9512366 0.94 HSD17B10 (0.45) 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 2 patents. 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 claimed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed