SCHEMBL6438246

SCHEMBL6438246

CC1(C)CCCC2(C)C3=C(CCC12)C(=O)OC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.40
▸ ALOX15 P16050 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CETP P11597 2/20 0.35
▸ PIK3CA P42336 5/20 0.35

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
SCHEMBL11403009 1.00 CYP19A1 (0.40) CYP19A1ALOX15ALOX5ALOX12CHRNB2
SCHEMBL29445704 0.75 CYP19A1 (0.47) CYP19A1ALOX15ALOX5ALOX12CHRNB2
SCHEMBL21917264 0.72 CYP19A1 (0.49) CYP19A1ALOX15ALOX5ALOX12CYP3A4
SCHEMBL14880005 0.72 CYP19A1 (0.49) CYP19A1ALOX15ALOX5ALOX12CYP3A4
SCHEMBL21026193 0.70 MAPK1 (0.38) CYP3A4TP53MEN1MAPTMAPK1
SCHEMBL11069779 0.69 CYP19A1 (0.47) CYP19A1ALOX15ALOX5ALOX12CYP3A4
SCHEMBL21812507 0.67 CHRNB2 (0.42) CYP19A1ALOX15ALOX5ALOX12CHRNB2
SCHEMBL3146912 0.67 CYP19A1 (0.44) CYP19A1ALOX15ALOX5ALOX12CYP3A4
SCHEMBL266913 0.67 CYP19A1 (0.44) CYP19A1ALOX15ALOX5ALOX12CYP3A4
SCHEMBL25432736 0.64 CYP19A1 (0.48) CYP19A1ALOX15ALOX5ALOX12CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509181-A1 PERSONAL CARE ARTICLE AND METHOD FOR INHIBITING ATTACHMENT OF YEAST TO SKIN Kimberly-Clark Worldwide, Inc. (US) 2005-03-02 — — EP disclosed
WO-2004112819-A1 COMPOSITIONS AND METHODS OF TREATMENT COMPRISING PLANT EXTRACTS GELSTAT CORPORATION (US) 2004-12-29 — — WO disclosed
WO-2003101356-A1 PERSONAL CARE ARTICLE AND METHOD FOR INHIBITING ATTACHMENT OF YEAST TO SKIN KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-12-11 — — WO disclosed
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