SCHEMBL6239218

SCHEMBL6239218

CCC(C)C(C)C1=CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.33
HIF1A Q16665 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
SCHEMBL1044726 0.77
SCHEMBL11759184 0.76 ALDH1A1 (0.47) CYP1A2ALDH1A1TP53HIF1A
SCHEMBL1238217 0.76 CYP1A2 (0.42) CYP1A2ALDH1A1TP53HIF1A
SCHEMBL6504045 0.72 CYP1A2 (0.39) CYP1A2ALDH1A1TP53HIF1A
SCHEMBL5178286 0.68 ALDH1A1 (0.47) CYP1A2ALDH1A1TP53HIF1A
SCHEMBL2945355 0.67 CYP1A2 (0.36) CYP1A2ALDH1A1
SCHEMBL2945352 0.67 CYP1A2 (0.36) CYP1A2ALDH1A1
SCHEMBL6548167 0.67 HIF1A (0.50) CYP1A2ALDH1A1TP53HIF1A
SCHEMBL4442531 0.67 TP53 (0.55) CYP1A2ALDH1A1TP53HIF1A
SCHEMBL5179413 0.66 TP53 (0.58) CYP1A2ALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534216-A1 COMPOSITIONS COMPRISING ENCAPSULATED MATERIAL Quest International Services B.V. (NL) 2005-06-01 EP disclosed
WO-2004052316-A2 NOVEL SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2004-06-24 WO disclosed
WO-2004016234-A1 COMPOSITIONS COMPRISING ENCAPSULATED MATERIAL QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-02-26 WO disclosed
EP-0377809-A1 Process for the preparation of 3-methyl-2-pentyl-cyclopent-2-en-1-one HÜLS AKTIENGESELLSCHAFT (DE) 1990-07-18 EP disclosed