SCHEMBL8466573

SCHEMBL8466573

C=CC=CC=Cc1ccccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
F2R P25116 3/20 0.32
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RCE1 Q9Y256 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ESR2 Q92731 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1932223 0.80 TSHR (0.48) TSHRF2RKDM4EALDH1A1GAA
SCHEMBL7905215 0.80 TSHR (0.48) TSHRF2RKDM4EALDH1A1GAA
SCHEMBL29732385 0.80 TSHR (0.48) TSHRF2RKDM4EALDH1A1GAA
SCHEMBL9187108 0.78 TSHR (0.46) TSHRF2RKDM4EALDH1A1GAA
SCHEMBL5561570 0.77 CDK4 (0.52) TSHRF2RKDM4EALDH1A1GAA
SCHEMBL628777 0.77 CDK4 (0.52) TSHRF2RKDM4EALDH1A1GAA
Butadiene SCHEMBL28426278 0.76 NFE2L2 (0.44) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL2074276 0.76 TSHR (0.41) TSHRF2RKDM4EALDH1A1GAA
Butadiene SCHEMBL6839102 0.76 ALDH1A1 (0.41) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL2074277 0.76 TSHR (0.41) TSHRF2RKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2296916-B1 TIRE WITH A TREAD COMPRISING AN SNBR ELASTOMER MICHELIN & CIE (FR) 2012-10-24 EP claimed
EP-2296916-B1 TIRE WITH A TREAD COMPRISING AN SNBR ELASTOMER MICHELIN & CIE (FR) 2012-10-24 EP disclosed
EP-0728149-B1 AQUEOUS ADHESIVE FOR BONDING ELASTOMERS LORD CORP (US) 1999-05-26 EP disclosed