SCHEMBL9847546

SCHEMBL9847546

COC1CC(C)c2ccc(Oc3ccc(NC(=O)NO)cc3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.40
MTNR1A P48039 6/20 0.40
RAF1 P04049 3/20 0.37
CDK8 P49336 1/20 0.36
PGR P06401 1/20 0.36
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9847554 0.89 MTNR1B (0.40) MTNR1BMTNR1AEPHX2NPC1RAB9A
SCHEMBL9847535 0.85 MEN1 (0.43) MTNR1BMTNR1APGRRAB9A
SCHEMBL9847595 0.80 MCHR1 (0.42) MTNR1BMTNR1AEPHX2NPC1RAB9A
SCHEMBL9847608 0.77 MTNR1B (0.39) MTNR1BMTNR1ARAF1CDK8PGR
SCHEMBL9847548 0.76 KMT2A (0.40) MTNR1BMTNR1ARAB9A
SCHEMBL9847627 0.75 MTNR1B (0.41) MTNR1BMTNR1ARAF1EPHX2SMN1; SMN2
SCHEMBL9847618 0.71 EPHX2 (0.43) MTNR1BMTNR1AEPHX2NPC1RAB9A
SCHEMBL9847646 0.69 HIF1A (0.37) MTNR1BMTNR1ARAF1EPHX2NPC1
SCHEMBL9847552 0.66 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9754850 0.66 MTNR1B (0.38) MTNR1BMTNR1ARAF1NPC1RAB9A

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
EP-0434074-A2 Process for the production of 1-lower alkoxy-1-lower alkyl-3-substituted phenylurea, and intermediate thereof and process for the production of the intermediate MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-06-26 EP disclosed