SCHEMBL21757486

SCHEMBL21757486

CC1=C(CCC(C)/C=C/Cl)C(C)(C)CCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
RXRA P19793 2/20 0.38
RARA P10276 1/20 0.38
TRPA1 O75762 5/20 0.37
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
PDCD1 Q15116 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP1A2 P05177 1/20 0.31

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
SCHEMBL23903751 0.85 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL4913470 0.82 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL3146722 0.82 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL454132 0.82 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL9206533 0.82 ALDH1A1 (0.36) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL9205545 0.82 ALDH1A1 (0.36) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL9201572 0.81 CYP1A2 (0.49) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL9205369 0.81 CYP1A2 (0.49) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL18727653 0.79 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL18084338 0.77 TRPA1 (0.43) MEN1KMT2ALMNAALDH1A1GAA

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
WO-2020038857-A1 METHOD FOR SYNTHESISING VITAMIN A ADISSEO FRANCE S.A.S. (FR) 2020-02-27 WO disclosed