SCHEMBL9749301

SCHEMBL9749301

CC1CC(=O)c2ccc(OCc3ccccc3)cc2O1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.67
MAOA P21397 5/20 0.67
GRM5 P41594 4/20 0.64
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
NFKB1 P19838 1/20 0.64
RAB9A P51151 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CYP19A1 P11511 1/20 0.52
BRD4 O60885 3/20 0.52
CREBBP Q92793 3/20 0.52
STAT3 P40763 1/20 0.50

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
SCHEMBL23905817 0.88 BRD4 (0.67) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL9819174 0.81 AKR1B1 (0.56) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL281588 0.80 MAOB (1.00) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL31622440 0.80 MAOB (0.60) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL19518160 0.80 CREBBP (0.80) MAOBMAOABRD4CREBBP
SCHEMBL17673304 0.80 CREBBP (0.80) MAOBMAOABRD4CREBBP
SCHEMBL9464541 0.78 CYP19A1 (0.68) MAOBALDH1A1CYP19A1
SCHEMBL29889798 0.78 MAOB (1.00) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL2326572 0.78 MAOB (1.00) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL23905940 0.78 MAOB (0.62) MAOBMAOAGRM5NPC1ALDH1A1

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