SCHEMBL9509318

SCHEMBL9509318

CCCc1ccc(-c2ccc(C#Cc3ccc(CC)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.36
ACACB O00763 5/20 0.36
CYP2A6 P11509 1/20 0.34
MPL P40238 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 1/20 0.33
RARB P10826 1/20 0.32
CHRM2 P08172 1/20 0.32
S1PR1 P21453 1/20 0.32
FPR1 P21462 1/20 0.32
FPR3 P25089 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR65 Q8IYL9 1/20 0.32

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
SCHEMBL9512399 1.00 FFAR1 (0.36) FFAR1ACACBCYP2A6MPLTSHR
SCHEMBL9508906 0.96 FFAR1 (0.39) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9511355 0.93 CYP2A6 (0.39) FFAR1ACACBCYP2A6RARBFFAR4
SCHEMBL9511464 0.92 TSHR (0.40) FFAR1MPLTSHRHSD17B10RARB
SCHEMBL9510180 0.92 TSHR (0.40) FFAR1MPLTSHRHSD17B10RARB
SCHEMBL9512281 0.92 FFAR1 (0.42) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9512306 0.91 HSD17B10 (0.46) MPLTSHRHSD17B10RARBCHRM2
SCHEMBL9508830 0.91 HSD17B10 (0.46) MPLTSHRHSD17B10RARBCHRM2
SCHEMBL9510034 0.90 TSHR (0.41) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9508790 0.90 TSHR (0.41) FFAR1ACACBMPLTSHRHSD17B10

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