SCHEMBL24475285

SCHEMBL24475285

CC(=O)C/C=C(\C)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.58
RARG P13631 4/20 0.58
RARA P10276 3/20 0.58
RXRA P19793 3/20 0.58
ALOX5 P09917 1/20 0.53
ALOX15 P16050 1/20 0.53
TRPA1 O75762 5/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
POLK Q9UBT6 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BLM P54132 2/20 0.45
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL703376 0.90 RARB (0.60) RARBRARGRARARXRAALOX5
SCHEMBL9202781 0.90 RARB (0.60) RARBRARGRARARXRAALOX5
SCHEMBL703377 0.90 RARB (0.60) RARBRARGRARARXRAALOX5
SCHEMBL20839002 0.88 ALOX5 (0.60) RARBRARGRARARXRAALOX5
SCHEMBL20839001 0.88 ALOX5 (0.60) RARBRARGRARARXRAALOX5
SCHEMBL10044151 0.87 RARB (0.54) RARBRARGRARARXRAALOX5
SCHEMBL18084341 0.87 RARB (0.54) RARBRARGRARARXRAALOX5
SCHEMBL1105236 0.87 RARB (0.54) RARBRARGRARARXRAALOX5
SCHEMBL13554229 0.86 RARB (0.56) RARBRARGRARARXRAALOX5
SCHEMBL16670830 0.86 RARB (0.56) RARBRARGRARARXRAALOX5

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-2022112118-A1 REDUCTION BY A SILANE IN THE PRESENCE OF ZINC CATALYST FIRMENICH SA (CH) 2022-06-02 WO disclosed