SCHEMBL28449331

SCHEMBL28449331

C=CC(=O)OCCC(O)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ATM Q13315 1/20 0.31
ABCB1 P08183 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
SCHEMBL142522 0.84 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27800526 0.84 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27800524 0.84 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8965770 0.84 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9103359 0.82 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29550542 0.82 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL34661 0.82 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28183263 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7267526 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1405779 0.80 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4

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-106547168-B Black matrix material composition and application 深圳市华星光电技术有限公司 2020-09-01 CN disclosed