SCHEMBL9329709

SCHEMBL9329709

C=CC(=O)OCC([O])(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 7/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 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
SCHEMBL101492 0.82 ALDH1A1 (0.78) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8966159 0.80 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9329715 0.80 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10672628 0.80 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL16974945 0.80 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14845064 0.80 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10000080 0.78 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL42473 0.78 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL5150489 0.78 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL285659 0.78 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393954-B1 A radiation-curable organopolysiloxane compound, method for the preparation thereof and method of forming a cured coating film SHINETSU CHEMICAL CO (JP) 1994-04-06 EP claimed
US-4971831-A Novel radiation-curable organopolysiloxane compound and coating method SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-11-20 US claimed
EP-0393954-A2 A radiation-curable organopolysiloxane compound, method for the preparation thereof and method of forming a cured coating film SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-10-24 EP claimed