SCHEMBL20001212

SCHEMBL20001212

C=CC(=C)OCC(COCC(CCC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.40
TSHR P16473 5/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24218838 1.00 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27369459 1.00 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13871457 0.94 ALDH1A1 (0.51) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14135341 0.94 ALDH1A1 (0.51) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL25650928 0.94 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27251587 0.93 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14395435 0.93 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL24736789 0.89 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22036408 0.88 ALDH1A1 (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10144651 0.88 ALDH1A1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299422-B1 INFRARED ABSORBING COMPOSITION, INFRARED CUT FILTER, LAMINATION, PATTERN FORMING METHOD, AND SOLID-STATE IMAGE CAPTURING ELEMENT FUJIFILM CORP (JP) 2023-11-29 EP disclosed
EP-3299422-A1 INFRARED ABSORBING COMPOSITION, INFRARED CUT FILTER, LAMINATION, PATTERN FORMING METHOD, AND SOLID-STATE IMAGE CAPTURING ELEMENT FUJIFILM Corporation (JP) 2018-03-28 EP disclosed