SCHEMBL28243169

SCHEMBL28243169

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 8/20 0.35
HIF1A Q16665 4/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 6/20 0.33
TP53 P04637 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL11206592 0.81 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL17393728 0.80 TSHR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL28036354 0.80 ALDH1A1 (0.44) TSHRHIF1AALDH1A1TP53CYP3A4
SCHEMBL27813107 0.80 THRB (0.41) TSHRHIF1AALDH1A1TP53CYP3A4
SCHEMBL28393086 0.76 TSHR (0.33) TSHRHIF1AALDH1A1TP53CYP3A4
SCHEMBL1406216 0.75 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL10718030 0.74 TSHR (0.37) TSHRHIF1AALDH1A1TP53CYP3A4
SCHEMBL28634247 0.74 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL4181073 0.73 TSHR (0.35) TSHRHIF1AALDH1A1TP53CYP3A4
SCHEMBL20079310 0.72 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601935-A Device on facial mask and the facial mask including the device and tool set 生物传感器硏究所 2018-09-28 CN disclosed