SCHEMBL20357397

SCHEMBL20357397

COc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1ccc(C(=O)NCCCOC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 2/20 0.41
BRD4 O60885 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 2/20 0.41
RAB9A P51151 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL18609596 0.88 L3MBTL1 (0.47) MTNR1BL3MBTL1KDM4EHDAC1HDAC6
SCHEMBL20357398 0.88 L3MBTL1 (0.43) MTNR1BL3MBTL1KDM4EHDAC1HDAC6
SCHEMBL18609826 0.87 HDAC1 (0.56) L3MBTL1KDM4EALDH1A1MAPTHDAC1
SCHEMBL18609814 0.87 ALOX5 (0.49) MTNR1BL3MBTL1HDAC1HDAC6PPARG
SCHEMBL18609595 0.86 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1MAPTHDAC1
SCHEMBL18609598 0.85 MCHR1 (0.51) MTNR1BL3MBTL1HDAC1HDAC6PPARG
SCHEMBL18609408 0.85 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTHDAC1HDAC6
SCHEMBL20608399 0.85 MTNR1B (0.44) MTNR1BL3MBTL1HDAC1HDAC6PPARG
SCHEMBL18609825 0.85 RXRA (0.53) L3MBTL1ALDH1A1HDAC1HDAC6PPARG
SCHEMBL20370805 0.83 L3MBTL1 (0.42) MTNR1BL3MBTL1MAPTHDAC1HDAC6

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-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed