SCHEMBL9205252

SCHEMBL9205252

COC1(OC)C=CC(C(=O)CC(=O)c2ccccc2)=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 8/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX12 P18054 1/20 0.42
CYP1A2 P05177 3/20 0.40
PLOD2 O00469 2/20 0.40

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
SCHEMBL27516724 0.83 KMT2A (0.42) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL5948412 0.83 CES2 (0.44) HPGDSMN1; SMN2MAPTCES1NPC1
SCHEMBL210845 0.83 ALDH1A1 (0.38) KMT2AMEN1HPGDMAPTKDM4E
SCHEMBL7400361 0.80 NPC1 (0.33) SMN1; SMN2MAPTCES1NPC1RAB9A
SCHEMBL28139107 0.75 HPGD (0.40) KMT2AHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL7094536 0.72 KMT2A (0.34) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL10785589 0.71
SCHEMBL31219417 0.71 L3MBTL1 (0.36) KMT2AMEN1HPGDMAPTMAPK1
SCHEMBL3265216 0.71 CES1 (0.33) KMT2AMAPTCES1
Dibenzoylmethane SCHEMBL21597905 0.70 MEN1 (0.94) KMT2AMEN1HPGDSMN1; SMN2MAPT

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-5433896-A FLUORESCENT MOLECULAR PROBES, INC. (US) 1995-07-18 US disclosed