SCHEMBL9617640

SCHEMBL9617640

C#CC#Cc1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL7746276 0.83 TSHR (0.48) FFAR1TSHRALDH1A1CA1CA2
SCHEMBL5974541 0.78 TRPA1 (0.42) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL27808886 0.76 FFAR1 (0.42) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL10728999 0.74 FFAR1 (0.41) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL79944 0.73 FFAR1 (0.45) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL1141210 0.72 TRPA1 (0.46) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL10518289 0.71 TRPA1 (0.41) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL11756435 0.71 FFAR1 (0.58) FFAR1TSHRALDH1A1CYP1A2SMN1; SMN2
SCHEMBL8435571 0.70 TRPA1 (0.44) FFAR1TRPA1ATMTSHRALDH1A1
SCHEMBL28424109 0.69 FFAR1 (0.56) FFAR1TSHRALDH1A1CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4053789-A None JP disclosed
JP-H0453789-A SENSITIZER AND THERMAL RECORDING MATERIAL SANYO CHEM IND LTD 1992-02-21 JP disclosed