SCHEMBL9508906

SCHEMBL9508906

CCCc1ccc(C#Cc2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.39
ACACB O00763 4/20 0.39
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MPL P40238 2/20 0.35
KDM1A O60341 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
CHRM2 P08172 1/20 0.34
S1PR1 P21453 1/20 0.34
FPR1 P21462 1/20 0.34
FPR3 P25089 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL9509318 0.96 FFAR1 (0.36) FFAR1ACACBTSHRHSD17B10MPL
SCHEMBL9512281 0.96 FFAR1 (0.42) FFAR1ACACBTSHRHSD17B10MPL
SCHEMBL9512399 0.96 FFAR1 (0.36) FFAR1ACACBTSHRHSD17B10MPL
SCHEMBL9512352 0.94 FFAR1 (0.41) FFAR1ACACBMPLFFAR4CHRM2
SCHEMBL9510034 0.94 TSHR (0.41) FFAR1ACACBTSHRHSD17B10MPL
SCHEMBL9508790 0.94 TSHR (0.41) FFAR1ACACBTSHRHSD17B10MPL
SCHEMBL9512412 0.94 FFAR1 (0.41) FFAR1ACACBMPLFFAR4CHRM2
SCHEMBL9508767 0.93 HSD17B10 (0.47) TSHRHSD17B10MPLCHRM2RARB
SCHEMBL9512329 0.93 HSD17B10 (0.47) TSHRHSD17B10MPLCHRM2RARB
SCHEMBL9510003 0.91 TSHR (0.43) FFAR1TSHRHSD17B10MPLRARB

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
US-8252201-B1 Liquid crystalline medium Military University of Technology (PL) 2012-08-28 US disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed