SCHEMBL11489237

SCHEMBL11489237

Cc1cc(C)cc(OC(=O)c2ccc(C)cc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TNF P01375 1/20 0.45
PKM P14618 1/20 0.45
CDK5 Q00535 1/20 0.45
KLF5 Q13887 1/20 0.45
CDK5R1 Q15078 1/20 0.45
NOD1 Q9Y239 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
PTK2B Q14289 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL8422589 0.84 MAPT (0.53) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL27664158 0.79 KMT2A (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29462647 0.79 KMT2A (0.49) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL124710 0.79 KMT2A (0.49) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL6113261 0.79 KMT2A (0.49) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL29004329 0.79 KMT2A (0.61) KMT2AMEN1MAPTTHRBCYP1A2
SCHEMBL158111 0.77 TDP1 (0.57) KMT2AMEN1MAPT
SCHEMBL8527590 0.77 KMT2A (0.48) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL91846 0.77 MAPT (0.45) KMT2AMAPTPTK2BRXFP1CYP1A2
SCHEMBL13384882 0.77 KMT2A (0.68) KMT2AMEN1MAPTTHRBCYP1A2

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-4201790-A VASCULAR ADRENERGIC BLOCKING AGENTS MAY & BAKER LIMITED (GB) 1980-05-06 US disclosed