SCHEMBL17898147

SCHEMBL17898147

CCC(C)CC(C)(CC(=O)O)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
MMP8 P22894 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DGAT1 O75907 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL13625219 0.81 MMP8 (0.35) MMP8CA1CA2KDM4EDGAT1
SCHEMBL8656249 0.78 TSHR (0.59) CYP2D6TSHRCYP2C19HIF1AHMGCR
SCHEMBL28292468 0.77 MMP8 (0.37) MMP8CA1CA2DGAT1
SCHEMBL11964743 0.77 CYP2C19 (0.52) CYP2D6TSHRCYP2C19HIF1AHMGCR
SCHEMBL17898168 0.76 MMP8 (0.32) MMP8
SCHEMBL27942129 0.76 MMP8 (0.36) MMP8CA1CA2DGAT1
SCHEMBL14973297 0.75 KDM4E (0.45) CYP2D6TSHRCYP2C19HIF1AHMGCR
SCHEMBL16442445 0.74 MMP8 (0.33) MMP8CA1CA2
SCHEMBL7766103 0.73 HMGCR (0.56) CYP2D6TSHRCYP2C19HIF1AHMGCR
SCHEMBL10297997 0.73 MMP8 (0.34) MMP8CA1CA2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776208-B2 Brush composition, and method of producing structure containing phase-separated structure TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-03 US disclosed
US-20160194751-A1 BRUSH COMPOSITION, AND METHOD OF PRODUCING STRUCTURE CONTAINING PHASE-SEPARATED STRUCTURE TOKYO OHKA KOGYO CO., LTD. (JP) 2016-07-07 US disclosed