SCHEMBL1463439

SCHEMBL1463439

COC(=O)CC(CC(=O)O)(OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TET2 Q6N021 1/20 0.31

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
SCHEMBL11750778 0.94 TSHR (0.39) TSHRGAAMGAMSIMGAM2
SCHEMBL284431 0.88 CYP2C19 (0.42) TSHRGAACYP2D6CYP2C19HIF1A
SCHEMBL11750768 0.87 GAA (0.34) TSHRGAAMGAMSIMGAM2
SCHEMBL10625241 0.87 CYP2D6 (0.35) TSHRGAACYP2D6CYP2C19HIF1A
SCHEMBL156918 0.86 CYP2C19 (0.41) TSHRGAACYP2D6CYP2C19HIF1A
Acetic Acid SCHEMBL15573268 0.86 CYP2C19 (0.41) TSHRGAACYP2D6CYP2C19HIF1A
SCHEMBL597227 0.86 CYP2C19 (0.41) TSHRGAACYP2D6CYP2C19HIF1A
Acetone SCHEMBL9653544 0.86 CYP2C19 (0.41) TSHRGAACYP2D6CYP2C19HIF1A
SCHEMBL21048439 0.86 CYP2C19 (0.41) TSHRGAACYP2D6CYP2C19HIF1A
SCHEMBL28960526 0.86 CYP2C19 (0.41) TSHRGAACYP2D6CYP2C19HIF1A

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-108517123-A A kind of modified composite material and preparation method using carbon nanotube and graphene 青岛泰歌新材料科技有限公司 2018-09-11 CN disclosed
US-20160049664-A1 CATALYST FOR FUEL CELLS AND METHOD FOR PRODUCING THE SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2016-02-18 US disclosed
US-20110070402-A1 Optical Element, and Process for Producing Electronic Equipment using the Optical Element KONICA MINOLTA OPTO, INC. (JP) 2011-03-24 US disclosed
US-4010253-A Process of suppressing odors employing deodorants containing esters of citric acid HENKEL & CIE G.M.B.H. (DT) 1977-03-01 US disclosed