SCHEMBL9060209

SCHEMBL9060209

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.50
THRB P10828 2/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR2 Q8TDS4 2/20 0.32
LMNA P02545 1/20 0.32
ENPEP Q07075 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3850342 0.88 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3267476 0.84 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28472133 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5057282 0.82 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28848840 0.80 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL996461 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10337184 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6368712 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27856672 0.79 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL33753 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325526-A None JP disclosed
JP-H08325526-A ADHESIVE FOR METAL HUB TOSOH CORP 1996-12-10 JP disclosed