SCHEMBL9754850

SCHEMBL9754850

COC1(C)CC(C)(C)c2ccc(Oc3ccc(NC(=O)NO)cc3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
MTNR1A P48039 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
MYOC Q99972 1/20 0.36
RAF1 P04049 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9847572 0.89 MEN1 (0.38) MTNR1BMAPTLMNARXRARXRB
SCHEMBL9847637 0.89 MTNR1B (0.38) MTNR1BMAPTLMNAMTNR1ARXRA
SCHEMBL9847569 0.87 MTNR1B (0.37) MTNR1BMAPTMTNR1ARXRARXRB
SCHEMBL29390499 0.85 MEN1 (0.43) MTNR1BMTNR1ARXRARXRBRXRG
SCHEMBL67099 0.85 MEN1 (0.43) MTNR1BMTNR1ARXRARXRBRXRG
Metobromuron SCHEMBL15994323 0.83 KMT2A (0.52) MTNR1BMAPTMTNR1ARXRARXRB
SCHEMBL9847575 0.83 PPARG (0.40) MTNR1BMAPTMTNR1ANPC1RAB9A
SCHEMBL9847608 0.79 MTNR1B (0.39) MTNR1BMAPTLMNAMTNR1ANPC1
SCHEMBL9749135 0.78 ALDH1A1 (0.44) MAPTRXRARXRBRXRGNPC1
SCHEMBL8464205 0.78 RXRA (0.36) MAPTLMNARXRARXRBRXRG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3193776-A None JP disclosed
JP-H03193776-A 1-HYDROXY-3-PHENYLUREA DERIVATIVE AND PRODUCTION THEREOF MITSUI PETROCHEM IND LTD 1991-08-23 JP disclosed
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