SCHEMBL9749438

SCHEMBL9749438

CCc1coc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
ACHE P22303 1/20 0.56
FFAR1 O14842 1/20 0.56
MAOA P21397 2/20 0.55
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55

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
SCHEMBL17338651 0.85 PPARD (0.52) MAOBACHEFFAR1MAOANPC1
SCHEMBL28073665 0.84 PPARD (0.51) MAOBACHEFFAR1MAOANPC1
SCHEMBL14018181 0.83 MAOB (0.65) MAOBACHEFFAR1MAOANPC1
SCHEMBL30843885 0.83 MAOB (0.65) MAOBACHEFFAR1MAOANPC1
SCHEMBL21591464 0.82 MAOB (0.57) MAOBACHEFFAR1MAOANPC1
SCHEMBL17347205 0.80 MAOB (0.61) MAOBACHEFFAR1MAOANPC1
SCHEMBL27707705 0.80 MAOB (0.55) MAOBACHEMAOANPC1CASP3
SCHEMBL7405860 0.79 MAOB (0.52) MAOBACHEFFAR1MAOANPC1
SCHEMBL7922618 0.79 PPARD (0.74) MAOBFFAR1MAOANPC1RAB9A
SCHEMBL15211605 0.78 MAOB (0.58) MAOBACHEFFAR1MAOANPC1

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