SCHEMBL9765032

SCHEMBL9765032

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1)CC1(c2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
SOAT1 P35610 1/20 0.45
ROCK2 O75116 1/20 0.43
HTT P42858 2/20 0.43
EEF2K O00418 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
GRIN2B Q13224 1/20 0.41
ULK1 O75385 1/20 0.41

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
SCHEMBL9765041 0.83 SOAT1 (0.55) SOAT1
SCHEMBL9679689 0.79 RECQL (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL9640878 0.77 RAB9A (0.54) RAB9AALDH1A1GAAHTTNPC1
SCHEMBL9765026 0.77 EGFR (0.43) ALDH1A1
SCHEMBL9765058 0.76 TP53 (0.46) POLBALDH1A1GAASMN1; SMN2
SCHEMBL9765053 0.76 NPSR1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL9195286 0.76 ULK1 (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL9640990 0.76 RAB9A (0.53) RAB9APOLBALDH1A1GAAHTT
SCHEMBL9202887 0.75 PPIA (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10891868 0.75 SOAT1 (0.70) SOAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994465-A Antihyperlipidemic and antiatherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1991-02-19 US claimed
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
US-4994465-A Antihyperlipidemic and antiatherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1991-02-19 US disclosed
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed