SCHEMBL8449935

SCHEMBL8449935

CCc1ccc(C#Cc2ccccc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.60
FFAR4 Q5NUL3 2/20 0.60
CHRM2 P08172 1/20 0.60
S1PR1 P21453 1/20 0.60
FPR1 P21462 1/20 0.60
FPR3 P25089 1/20 0.60
GPR183 P32249 1/20 0.60
APLNR P35414 1/20 0.60
GPR65 Q8IYL9 1/20 0.60
CYP2A6 P11509 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 2/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL8456419 0.80 FFAR1 (0.59) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL29985519 0.80 MAPT (0.63) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL28515436 0.80 FFAR1 (0.47) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL30446278 0.80 FFAR1 (0.57) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL2831073 0.80 TP53 (0.59) FFAR1FFAR4CYP2A6TP53ACACB
SCHEMBL5606667 0.80 FFAR1 (0.57) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8228398 0.79 CYP2A6 (0.64) FFAR1CYP2A6TP53TSHRACACB
SCHEMBL5050178 0.79 CYP2A6 (0.64) FFAR1CYP2A6TP53TSHRACACB
SCHEMBL28515434 0.79 FFAR1 (0.46) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL28432488 0.78 FFAR1 (0.56) FFAR1FFAR4CHRM2S1PR1FPR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672742-B1 A hexenediyne derivative and a liquid crystal composition CHISSO CORP (JP) 1999-02-10 EP disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed