SCHEMBL9663156

SCHEMBL9663156

CC1(C)CC(=O)c2c(O)ccc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PDE7A Q13946 1/20 0.34
HTT P42858 1/20 0.33
SRC P12931 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP3A4 P08684 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
AURKA O14965 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CDC25B P30305 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32

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
SCHEMBL27849030 0.74 ALDH1A1 (0.38) PTGS2ALDH1A1HTTCYP3A4CSNK2A2
SCHEMBL18352409 0.72 HTR6 (0.35) PGRALDH1A1PDE7ACYP3A4CSNK2A2
SCHEMBL11242496 0.71 TXNRD1 (0.41) PGRALDH1A1HTTCYP3A4AURKA
SCHEMBL9056340 0.64 KDM4E (0.36) PGRALDH1A1HTTHTR2AHTR2C
SCHEMBL10646374 0.64 AHR (0.44) PGRPDE7AHTR2AHTR2CHTR2B
SCHEMBL15746279 0.63 MAOA (0.40) ALDH1A1CYP3A4CSNK2A2CSNK2BCSNK2A1
SCHEMBL11256122 0.63 CYP3A4 (0.37) ALDH1A1PDE7AHTTCYP3A4CSNK2A2
SCHEMBL30931195 0.63 CYP3A4 (0.37) ALDH1A1PDE7AHTTCYP3A4CSNK2A2
SCHEMBL7742020 0.62 CSNK2A2 (0.54) PTGS2ALDH1A1HTTHTR2CHTR2B
SCHEMBL7738621 0.62 CSNK2A2 (0.54) PTGS2ALDH1A1HTTHTR2CHTR2B

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-0297352-B1 (AZOLYL-VINYL)-PHENOL-ALKENYLETHERS BAYER AG (DE) 1992-12-02 EP disclosed
US-4894381-A PLANT PROTECTION, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed
EP-0297352-A1 (Azolyl-vinyl)-phenol-alkenylethers BAYER AG (DE) 1989-01-04 EP disclosed