SCHEMBL11548460

SCHEMBL11548460

CCOc1ccc(OC(=O)c2ccc(-c3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
THRB P10828 2/20 0.64
KMT2A Q03164 2/20 0.61
TP53 P04637 2/20 0.56
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
MAOB P27338 1/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
PARP10 Q53GL7 1/20 0.51
NPC1 O15118 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL11548707 1.00 MAPT (0.64) MAPTTHRBKMT2ATP53CCNC
SCHEMBL12736338 0.94 KMT2A (0.68) MAPTTHRBKMT2ATP53CCNC
SCHEMBL11943005 0.94 KMT2A (0.68) MAPTTHRBKMT2ATP53CCNC
SCHEMBL26832413 0.92 TP53 (0.59) MAPTTHRBKMT2ATP53LMNA
SCHEMBL12154284 0.92 TP53 (0.59) MAPTTHRBKMT2ATP53LMNA
SCHEMBL11550359 0.92 TP53 (0.59) MAPTTHRBKMT2ATP53LMNA
SCHEMBL9905987 0.88 KMT2A (0.73) MAPTTHRBKMT2ACCNCCDK8
SCHEMBL12736340 0.88 MAPT (0.59) MAPTTHRBKMT2ATP53CCNC
SCHEMBL2455357 0.88 KMT2A (0.73) MAPTTHRBKMT2ACCNCCDK8
SCHEMBL11549784 0.88 LMNA (0.62) MAPTTHRBKMT2ATP53LMNA

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
US-4136053-A BIPHENYL ESTERS AND LIQUID CRYSTALLINE MIXTURES COMPRISING THEM MERCK PATENT GESELLSCHAFT MIT BESCHANKTER HAFTUNG (DE) 1979-01-23 US disclosed
US-4065489-A Biphenyl esters and liquid crystalline mixtures comprising them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-12-27 US disclosed