SCHEMBL9509936

SCHEMBL9509936

CCCCc1ccc(-c2ccc(C#Cc3ccc(F)cc3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MPL P40238 6/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RARB P10826 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 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
SCHEMBL9510169 0.96 TSHR (0.46) FFAR1TSHRHSD17B10MPLRARB
SCHEMBL9510003 0.96 TSHR (0.43) FFAR1TSHRHSD17B10MPLRARB
SCHEMBL9508736 0.93 HSD17B10 (0.48) TSHRHSD17B10MPLRARBALDH1A1
SCHEMBL9510034 0.93 TSHR (0.41) FFAR1TSHRHSD17B10MPLRARB
SCHEMBL9508728 0.93 HSD17B10 (0.48) TSHRHSD17B10MPLRARBALDH1A1
SCHEMBL9508790 0.93 TSHR (0.41) FFAR1TSHRHSD17B10MPLRARB
SCHEMBL9510180 0.92 TSHR (0.40) FFAR1TSHRHSD17B10MPLRARB
SCHEMBL9511464 0.92 TSHR (0.40) FFAR1TSHRHSD17B10MPLRARB
SCHEMBL9512281 0.92 FFAR1 (0.42) FFAR1TSHRHSD17B10MPLALDH1A1
SCHEMBL9512420 0.92 HSD17B10 (0.49) TSHRHSD17B10MPLRARBALDH1A1

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