SCHEMBL9749418

SCHEMBL9749418

CCC(=O)c1ccc(OCc2ccccc2)cc1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
PPARD Q03181 8/20 0.53
PPARG P37231 2/20 0.53
FFAR1 O14842 8/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28256912 0.92 MAOB (0.65) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL9749067 0.88 ABCB1 (0.57) MAOBPPARGRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29184830 0.86 MAOB (0.70) MAOBPPARDPPARGFFAR1SMN1; SMN2
SCHEMBL27949286 0.84 MAOB (0.55) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL9748049 0.83 MAOB (0.74) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL27737196 0.82 MAOB (0.53) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7909009 0.82 PPARD (0.59) MAOBPPARDPPARGFFAR1
SCHEMBL9630397 0.81 MAOB (0.58) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL9811686 0.81 SMN1; SMN2 (0.60) PPARDPPARGFFAR1RAB9ASMN1; SMN2
SCHEMBL27731757 0.81 MAOB (0.58) MAOBRAB9ASMN1; SMN2ALDH1A1GAA

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