SCHEMBL11029241

SCHEMBL11029241

C=CC(=O)OCCCO.CC(=CCCO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL6710670 0.91 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4606590 0.91 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8009298 0.89 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28544460 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9776659 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27465284 0.86 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20553764 0.86 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6266348 0.84 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3793027 0.84 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
Acetic Acid SCHEMBL27593548 0.84 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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-8551149-B2 Corrective method for fingernails or toenails HILLEBRAND CHRISTA (DE) 2013-10-08 US disclosed
US-20120191033-A1 CORRECTIVE METHOD FOR FINGERNAILS OR TOENAILS HILLEBRAND CHRISTA (DE) 2012-07-26 US disclosed