SCHEMBL9712548

SCHEMBL9712548

CCc1c(C)cc(C=O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 7/20 0.36
ALDH1A3 P47895 6/20 0.36
ALDH3A1 P30838 3/20 0.35
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL15338688 0.82 SRC (0.44) SRCCYP2A6ALDH1A1ALDH1A3ALDH3A1
SCHEMBL27871739 0.79 SRC (0.46) SRCCYP2A6ALDH1A1ALDH1A3PTGS2
SCHEMBL10497361 0.78 KDM4E (0.39) CYP2A6ALDH1A1ALDH1A3ALDH3A1LMNA
SCHEMBL1798820 0.76 KDM4E (0.41) SRCCYP2A6ALDH1A1ALDH1A3ALOX5
SCHEMBL1860214 0.76 SRC (0.37) SRCKDM4E
SCHEMBL17391661 0.74 HTT (0.35) SRCALDH1A1ALDH1A3MAPTHPGD
SCHEMBL25240907 0.74 ALDH1A1 (0.46) SRCCYP2A6ALDH1A1ALDH1A3ALDH3A1
SCHEMBL261351 0.74 PTGS1 (0.44) SRCALOX5PTGS1PTGS2KDM4E
SCHEMBL142163 0.74 SRC (0.42) SRCCYP2A6ALDH1A1ALDH1A3KDM4E
SCHEMBL814444 0.74 SRC (0.48) SRCCYP2A6ALDH1A1ALDH1A3TSHR

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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed