SCHEMBL6441029

SCHEMBL6441029

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.69
▸ CHRNB2 P17787 1/20 0.69
▸ CHRNB4 P30926 1/20 0.69
▸ CHRNA3 P32297 1/20 0.69
▸ CHRNA4 P43681 1/20 0.69
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ PDE4D Q08499 1/20 0.48
▸ TRPM2 O94759 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ PDK1 Q15118 2/20 0.47
▸ PDK2 Q15119 2/20 0.47
▸ PDK3 Q15120 2/20 0.47
▸ PDK4 Q16654 2/20 0.47
▸ LMNA P02545 1/20 0.47

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
Polygodial SCHEMBL21633831 0.82 CHRNB2 (1.00) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
Epipolygodial SCHEMBL21322435 0.82 CHRNB2 (1.00) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
Polygodial SCHEMBL258239 0.82 CHRNB2 (1.00) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
Epipolygodial SCHEMBL13855685 0.82 CHRNB2 (1.00) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
Epipolygodial SCHEMBL29370854 0.82 CHRNB2 (1.00) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
Polygodial SCHEMBL9776484 0.73 CHRNB2 (0.81) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18583213 0.72 CHRNB2 (0.70) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29751910 0.70 CHRNB2 (0.64) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28263671 0.70 CHRNB2 (0.64) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18583220 0.69 CHRNB2 (0.65) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4

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-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
US-20030224034-A1 Personal care article and method for inhibiting attachment of yeast to skin KIMBERLY-CLARK WORLDWIDE, INC. 2003-12-04 — — US disclosed
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