SCHEMBL9512420

SCHEMBL9512420

CCCCCc1ccc(C#Cc2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
RARB P10826 9/20 0.45
HSD11B1 P28845 2/20 0.40
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MPL P40238 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9508728 0.99 HSD17B10 (0.48) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9508736 0.99 HSD17B10 (0.48) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9508767 0.97 HSD17B10 (0.47) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9512329 0.97 HSD17B10 (0.47) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9510169 0.96 TSHR (0.46) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9512306 0.96 HSD17B10 (0.46) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9508830 0.96 HSD17B10 (0.46) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9510003 0.96 TSHR (0.43) HSD17B10TSHRRARBHSD11B1MPL
SCHEMBL9512364 0.95 TSHR (0.45) HSD17B10TSHRRARBHSD11B1RARA
SCHEMBL9508912 0.95 TSHR (0.45) HSD17B10TSHRRARBHSD11B1RARA

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