SCHEMBL9759693

SCHEMBL9759693

CCCCCCCCCCCCCCCCCCOP(=O)(CCCCCCCCCCCCCCCCCC)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
HMGCR P04035 3/20 0.45
NR1I2 O75469 1/20 0.40
CETP P11597 4/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
ATM Q13315 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL28541822 0.88 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL4247941 0.88 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL28387496 0.88 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL809384 0.88 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL8869012 0.88 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL915217 0.88 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL97478 0.88 KMT2A (0.52) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL8106694 0.87 HMGCR (0.47) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL11154052 0.86 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2
SCHEMBL21814199 0.86 HMGCR (0.48) KMT2AGAAMEN1HMGCRNR1I2

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-5059689-A Stabilizers against damage by light, oxygen, heat CIBA-GEIGY CORPORATION (US) 1991-10-22 US disclosed