SCHEMBL9808632

SCHEMBL9808632

CCCCCCCCCCCCCCC=CC=C/[C]=C/CCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
FASN P49327 1/20 0.47
FAAH O00519 5/20 0.42
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
HMGCR P04035 2/20 0.38

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
SCHEMBL6239899 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL3924992 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL887671 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL8374816 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL6880256 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL14809663 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL11511228 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL5521453 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL20482020 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR
SCHEMBL9338672 0.85 FAAH (0.46) TSHRFAAHTRPV1HMGCR

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
EP-0230698-B1 USE OF AN ESTER COMPOUND AS A TEMPORARY MICROBICIDE BEROL KEMI AB (SE) 1991-05-29 EP disclosed
EP-0230698-A1 Use of an ester compound as a temporary microbicide BEROL KEMI AB (SE) 1987-08-05 EP disclosed