SCHEMBL9512281

SCHEMBL9512281

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
ACACB O00763 4/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AOC3 Q16853 1/20 0.34
MPL P40238 1/20 0.33
GRM5 P41594 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 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
SCHEMBL9508906 0.96 FFAR1 (0.39) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9509936 0.92 FFAR1 (0.40) FFAR1ALDH1A1GAAMPLTSHR
SCHEMBL9512399 0.92 FFAR1 (0.36) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9509318 0.92 FFAR1 (0.36) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9510169 0.91 TSHR (0.46) FFAR1ALDH1A1MPLTSHRHSD17B10
SCHEMBL9512412 0.90 FFAR1 (0.41) FFAR1ACACBMPL
SCHEMBL9512352 0.90 FFAR1 (0.41) FFAR1ACACBMPL
SCHEMBL9510034 0.90 TSHR (0.41) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9508790 0.90 TSHR (0.41) FFAR1ACACBMPLTSHRHSD17B10
SCHEMBL9508767 0.89 HSD17B10 (0.47) ALDH1A1LMNAMPLTSHRHSD17B10

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