SCHEMBL9503469

SCHEMBL9503469

CCNc1cccc(OC(C)OCNC(=O)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.41
MTNR1B P49286 13/20 0.41
GRK2 P25098 1/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL9795787 0.88 MTNR1A (0.46) MTNR1AMTNR1BRECQL
SCHEMBL12895716 0.75 HDAC4 (0.48) MTNR1AMTNR1BGRK2ALDH1A1RAB9A
SCHEMBL9505261 0.74 MTNR1B (0.52) MTNR1AMTNR1BALDH1A1HPGDPOLB
SCHEMBL9795773 0.74 MTNR1A (0.56) MTNR1AMTNR1B
Isophthalic Acid SCHEMBL27820333 0.70 RXRA (0.51) ALDH1A1RAB9A
SCHEMBL13652569 0.70 MTNR1B (0.59) MTNR1AMTNR1BALDH1A1HPGDPOLB
SCHEMBL27683582 0.69 MEN1 (0.59) MTNR1AMTNR1BRECQLALDH1A1HPGD
SCHEMBL1116411 0.67 MAPK1 (0.61) ALDH1A1RAB9A
SCHEMBL11289448 0.67 MTNR1A (0.42) MTNR1AMTNR1BGRK2ALDH1A1HPGD
SCHEMBL11289447 0.67 MTNR1A (0.42) MTNR1AMTNR1BGRK2ALDH1A1HPGD

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
EP-0240902-B1 PROCESS FOR THE MANUFACTURE OF AZO DYES CASSELLA Aktiengesellschaft (DE) 1993-06-09 EP disclosed
US-4795807-A Preparation of azo dyestuffs by diazotization and coupling in the presence of an ester CASSELLA AKTIENGESELLSCHAFT (DE) 1989-01-03 US disclosed
EP-0240902-A2 Process for the manufacture of azo dyes CASSELLA Aktiengesellschaft (DE) 1987-10-14 EP disclosed