SCHEMBL22399786

SCHEMBL22399786

C=CC(=O)OCCC1(O)CC2CCCC(C2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
ALDH1A1 P00352 6/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.37
THRB P10828 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 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
SCHEMBL13383436 0.79 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10054238 0.76 MEN1 (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14049597 0.74 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12672785 0.73 MEN1 (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18676189 0.72 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22399829 0.71
SCHEMBL20312889 0.71 ALDH1A1 (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19261606 0.71 TSHR (0.33) TSHR
SCHEMBL18973453 0.70 MEN1 (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22399831 0.70

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
US-10766992-B2 Resin and resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-09-08 US disclosed