SCHEMBL28645929

SCHEMBL28645929

CCc1ccc(C=CC#N)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1C3 P42330 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
RAD52 P43351 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
PDE2A O00408 1/20 0.33
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL5166130 0.78 MEN1 (0.40) ALOX5PTGS1PTGS2ALDH1A1KMT2A
SCHEMBL5166135 0.78 MEN1 (0.40) ALOX5PTGS1PTGS2ALDH1A1KMT2A
SCHEMBL9651833 0.75 PTGS1 (0.39) ALOX5PTGS1PTGS2KDM4EFDPS
SCHEMBL9869836 0.75 PTGS1 (0.39) ALOX5PTGS1PTGS2KDM4EFDPS
SCHEMBL27945269 0.75 GABRA1 (0.41) ALOX5PTGS1PTGS2ALDH1A1KMT2A
SCHEMBL10822814 0.74 SMN1; SMN2 (0.42) CYP2A6ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL11444224 0.72 KDM4E (0.55) CYP2A6ALOX5PTGS1PTGS2AKR1C3
SCHEMBL21457286 0.72 KDM4E (0.55) CYP2A6ALOX5PTGS1PTGS2AKR1C3
SCHEMBL1264062 0.72 TRPA1 (0.39) CYP2A6ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL2704056 0.72 ALDH1A1 (0.45) CYP2A6ALOX5PTGS1PTGS2ALDH1A1

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
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed