SCHEMBL11549604

SCHEMBL11549604

Cc1ccc(C2Oc3ccc(NC(=O)N(C)C)cc3O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
PNPLA2 Q96AD5 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL11550401 0.88 TSHR (0.57) APEX1NPC1RAB9ATSHREPHX2
SCHEMBL11548842 0.88 APEX1 (0.46) APEX1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11554395 0.83 POLB (0.46) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL11553389 0.77 APEX1 (0.52) APEX1NPC1RAB9ATSHREPHX2
SCHEMBL4770587 0.74 TSHR (0.68) APEX1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11549818 0.70 POLB (0.43) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL11548778 0.70 EPHX2 (0.72) NPC1RAB9AMAPTSMN1; SMN2EPHX2
SCHEMBL687878 0.67 TSHR (0.79) APEX1TSHR
SCHEMBL20741156 0.67 POLB (0.61) APEX1MAPTTSHRPOLB
SCHEMBL8153658 0.66 HSD17B10 (0.65) APEX1SMN1; SMN2PNPLA2HDAC6

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-4155915-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-22 US claimed