SCHEMBL9574397

SCHEMBL9574397

CCOCCOCCN(C=O)CCOCCOCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
THRA P10827 1/20 0.33
THRB P10828 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2498188 0.95 ALOX15 (0.41) ALOX15ALDH1A1TSHRTHRATHRB
SCHEMBL11372483 0.89 ALOX15 (0.38) ALOX15ALDH1A1TSHR
SCHEMBL616451 0.88 ALOX15 (0.44) ALOX15ALDH1A1TSHRTHRA
SCHEMBL2500023 0.84 ADH1A (0.33) ALOX15HSD17B10
SCHEMBL23085416 0.83 ALOX15 (0.34) ALOX15
SCHEMBL8745522 0.82 CA2 (0.34) BLMPMP22HSD17B10
SCHEMBL23085322 0.80 ALOX15 (0.38) ALOX15ALDH1A1TSHRTHRATHRB
SCHEMBL4634763 0.80 TSHR (0.43) ALDH1A1TSHRTHRB
SCHEMBL11371637 0.79 MEN1 (0.37) ALOX15
SCHEMBL770546 0.79 CA12 (0.39) ALDH1A1TSHR

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-0302441-B1 BIS-STYRYL COMPOUNDS BASF Aktiengesellschaft (DE) 1993-05-12 EP disclosed
EP-0302441-A2 Bis-styryl compounds BASF Aktiengesellschaft (DE) 1989-02-08 EP disclosed