SCHEMBL9508771

SCHEMBL9508771

CCCc1ccc(-c2ccc(C#Cc3ccc(OCC)c(F)c3F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.39
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR1 O14842 5/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL7910413 0.97 ACACB (0.40) ACACBFFAR1
SCHEMBL9512427 0.92 TSHR (0.43) ACACBTSHRHSD17B10FFAR1
SCHEMBL9508712 0.92 ACACB (0.41) ACACBTSHRHSD17B10FFAR1
SCHEMBL9509982 0.91 TSHR (0.39) ACACBTSHRHSD17B10
SCHEMBL9509905 0.91 HSD17B10 (0.48) ACACBTSHRHSD17B10
SCHEMBL9510052 0.90 TSHR (0.41) ACACBTSHRHSD17B10FFAR1FFAR4
SCHEMBL9509273 0.90 HSD17B10 (0.50) TSHRHSD17B10
SCHEMBL9509231 0.90 HSD17B10 (0.50) TSHRHSD17B10
SCHEMBL9511465 0.89 ACACB (0.39) ACACBTSHRHSD17B10FFAR1FFAR4
SCHEMBL9512494 0.89 ACACB (0.42) ACACBFFAR1

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