SCHEMBL9016204

SCHEMBL9016204

CC1=C(CC/C(C)=C/CCC(=O)O)C(C)(C)CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.59
ALOX15 P16050 1/20 0.59
RARB P10826 2/20 0.59
RARG P13631 2/20 0.59
RARA P10276 1/20 0.59
RXRA P19793 1/20 0.59
TRPA1 O75762 6/20 0.58
PLA2G1B P04054 1/20 0.49
PLA2G2A P14555 1/20 0.49
POLK Q9UBT6 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
HAO1 Q9UJM8 1/20 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
SCHEMBL9016206 1.00 ALOX5 (0.59) ALOX5ALOX15RARBRARGRARA
SCHEMBL20839001 0.91 ALOX5 (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL20839002 0.91 ALOX5 (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL703377 0.88 RARB (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL703376 0.88 RARB (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL9202781 0.88 RARB (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL23587933 0.85 ALOX15 (0.64) ALOX5ALOX15RARBRARGRARA
SCHEMBL9016180 0.85 ALOX15 (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL1105238 0.85 ALOX15 (0.60) ALOX5ALOX15RARBRARGRARA
SCHEMBL5595508 0.85 ALOX15 (0.60) ALOX5ALOX15RARBRARGRARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403945-B1 Cycloaliphatic carbinols and their use as starting materials for the preparation of furan derivatives FIRMENICH & CIE (CH) 1996-12-18 EP disclosed
US-5155239-A Preparation of polycyclic ethers FIRMENICH S.A. (CH) 1992-10-13 US disclosed
US-5155238-A Acidic cyclization of polyunsaturated, acyclic alcohol or protected alcohol; stereospecific; organoleptic FIRMENICH S.A. (CH) 1992-10-13 US disclosed
US-5077417-A Acidifying, cyclizing a polyunsaturated alicyclic alcohol or protected hydroxy group FIRMENICH SA (CH) 1991-12-31 US disclosed
EP-0403945-A2 Cycloaliphatic carbinols and their use as starting materials for the preparation of furan derivatives FIRMENICH SA (CH) 1990-12-27 EP disclosed