SCHEMBL9533250

SCHEMBL9533250

CCCCCC=C1C(=O)ON=C1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.41
PPARG P37231 2/20 0.39
TYR P14679 1/20 0.38
TSHR P16473 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL9533245 1.00 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9529497 0.98 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9529501 0.98 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9528443 0.90 EPHX1 (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL27572070 0.72 TYR (0.50) ALDH1A1PPARGTYRTSHR
SCHEMBL26089455 0.72 TYR (0.50) ALDH1A1PPARGTYRTSHR
SCHEMBL27580145 0.72 TYR (0.50) ALDH1A1PPARGTYRTSHR
SCHEMBL27636950 0.72 TYR (0.50) ALDH1A1PPARGTYRTSHR
SCHEMBL27825897 0.72 TYR (0.50) ALDH1A1PPARGTYRTSHR
SCHEMBL6406735 0.69 PPARG (0.39) PPARGTYRTSHR

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-0532725-A1 LIGHT SCREENING AGENT. GIVAUDAN ROURE INT (CH) 1993-03-24 EP disclosed
WO-1992017461-A1 LIGHT SCREENING AGENT GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-10-15 WO disclosed