SCHEMBL2911019

SCHEMBL2911019

CC(C)[C@@H]1CC[C@@](C)(c2ccc(O)cc2)C[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.36
ESR1 P03372 6/20 0.36
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL8501660 0.86 SLC18A3 (0.42) TRPA1SLC18A3
SCHEMBL29266620 0.84 TRPA1 (0.31) TRPA1TRPM8
SCHEMBL1005980 0.82 ESR2 (0.40) ESR2ESR1
SCHEMBL5859418 0.78 TRPA1 (0.31) TRPA1TRPM8
SCHEMBL7597625 0.77 TRPA1 (0.36) TRPA1TRPM8
SCHEMBL8593394 0.76 ESR2 (0.40) ESR2ESR1
SCHEMBL16277193 0.73 STS (0.32) ESR2
SCHEMBL28494433 0.72 SLC18A3 (0.39) SLC18A3
SCHEMBL7113263 0.71 SLC6A3 (0.41)
SCHEMBL21724095 0.71 SLC6A3 (0.41)

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
CN-103006543-A Chilblain cream and preparation method thereof SUZHOU HEIDOU SOFTWARE TECHNOLOGY CO LTD 2013-04-03 CN disclosed
EP-2214630-A1 PERSONAL CARE COMPOSITION Unilever PLC (GB) 2010-08-11 EP disclosed
WO-2009071422-A1 PERSONAL CARE COMPOSITION UNILEVER PLC (GB) 2009-06-11 WO disclosed
US-5834445-A PROVIDING A SUITABLE PASTEL COSMETIC COLOR BY COMBINING AN AQUEOUS SOLUTION OF A CYCLODEXTRIN, A TOPICAL CARRIER,AN ANTIOXIDANT AND AN ORGANIC SOLUTION OF B-CAROTENE; SKIN CREAMS SIKORSKI CHRISTOPHER (US) 1998-11-10 US disclosed