SCHEMBL9748815

SCHEMBL9748815

CNC(=O)Nc1ccc(Oc2ccc3c(c2)CCC(C)(OC)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
MTNR1B P49286 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ABHD6 Q9BV23 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
POLB P06746 1/20 0.37
RAF1 P04049 4/20 0.37
BRAF P15056 3/20 0.37
HDAC1 Q13547 3/20 0.37
ARAF P10398 1/20 0.37
EPHX2 P34913 2/20 0.37

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
SCHEMBL9847575 0.83 PPARG (0.40) PPARGPPARAMTNR1BNPC1RAB9A
SCHEMBL9749678 0.78 ALDH1A1 (0.44) PPARGPPARAABHD6DAGLAPOLB
SCHEMBL9847644 0.77 MEN1 (0.43) PPARGPPARAMTNR1BRAB9AMTNR1A
SCHEMBL9847586 0.72 PPARA (0.38) PPARGPPARAMTNR1BNPC1RAB9A
SCHEMBL9847547 0.72 PPARA (0.42) PPARGPPARAMTNR1BPOLBSMN1; SMN2
SCHEMBL9754850 0.70 MTNR1B (0.38) MTNR1BNPC1RAB9APOLBRAF1
SCHEMBL12362185 0.70 ALDH1A1 (0.56) MMP2MMP9MMP14MTNR1BNPC1
SCHEMBL9749407 0.70 AKT1 (0.51) MAPT
SCHEMBL9847608 0.69 MTNR1B (0.39) MTNR1BNPC1RAB9ARAF1EPHX2
SCHEMBL9847588 0.69 ALDH1A1 (0.44) PPARGPPARAPOLBMEN1MAPT

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
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed