SCHEMBL6554483

SCHEMBL6554483

CCCCCCC1CC(O)OC(CCC)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ PRKD3 O94806 2/20 0.38
▸ PRKCG P05129 2/20 0.38
▸ PRKCB P05771 2/20 0.38
▸ PRKCA P17252 2/20 0.38
▸ PRKCH P24723 2/20 0.38
▸ PRKCI P41743 2/20 0.38
▸ PRKCE Q02156 2/20 0.38
▸ PRKCQ Q04759 2/20 0.38
▸ PRKCZ Q05513 2/20 0.38
▸ PRKCD Q05655 2/20 0.38
▸ PRKD1 Q15139 2/20 0.38
▸ ENPP2 Q13822 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ LPAR2 Q9HBW0 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ SPHK2 Q9NRA0 3/20 0.36
▸ SPHK1 Q9NYA1 3/20 0.36
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL16841232 0.81 ALDH1A1 (0.61) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL6356929 0.81 DAGLA (0.43) ALDH1A1
SCHEMBL4652808 0.79 ALDH1A1 (0.48) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL6355736 0.77 ALDH1A1 (0.43) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL14496139 0.77 ALDH1A1 (0.45) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL4651442 0.77 ALDH1A1 (0.45) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL18177233 0.75 ALDH1A1 (0.48) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL22470028 0.74 ALDH1A1 (0.52) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL22484690 0.74 ALDH1A1 (0.52) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL16829849 0.72 ALOX5 (0.57) ALDH1A1PPARGALOX5

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-1487815-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2004-12-22 — — EP claimed
WO-2003082850-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2003-10-09 — — WO claimed
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