SCHEMBL9115447

SCHEMBL9115447

CCC(C)(C)OC(=O)C(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR2A P28223 1/20 0.30
PMP22 Q01453 1/20 0.30
PPARA Q07869 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
SCHEMBL47393 0.86 ALDH1A1 (0.38) TSHRALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL17355398 0.82 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EPKM
SCHEMBL13829169 0.80 ALDH1A1 (0.33) TSHRALDH1A1TDP1
SCHEMBL9355751 0.80 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL11349272 0.79 TSHR (0.36) TSHRALDH1A1TDP1ABCB11CYP1A2
SCHEMBL27512438 0.78 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL15160857 0.78 DGAT1 (0.46) TSHRALDH1A1TDP1
SCHEMBL4234148 0.78 ALDH1A1 (0.39) TSHRALDH1A1TDP1
SCHEMBL1735484 0.78 DGAT1 (0.46) TDP1CYP4F2CYP4A11
SCHEMBL14556939 0.77 TSHR (0.35) TSHRALDH1A1TDP1ABCB11CYP1A2

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
CN-105295486-A THERMOSETTING POWDER COATING MATERIAL, AND COATED ARTICLE FUJI XEROX CO LTD 2016-02-03 CN disclosed
CN-105008467-A Active energy ray-curable offset printing ink composition SAKATA INX CORP 2015-10-28 CN disclosed
WO-1995010790-A1 HIGH REFRACTIVE INDEX PHOTOCHROMIC OPHTHALMIC ARTICLE PPG INDUSTRIES, INC. (US) 1995-04-20 WO disclosed