SCHEMBL9195286

SCHEMBL9195286

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.53
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
SOAT1 P35610 1/20 0.52
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
ROCK2 O75116 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL9765055 0.81 SOAT1 (0.63) SOAT1
SCHEMBL10891868 0.80 SOAT1 (0.70) SOAT1
SCHEMBL9784436 0.76 SOAT1 (0.59) RAB9APOLBSOAT1MMP1MMP2
SCHEMBL9765032 0.76 MMP1 (0.48) ULK1RAB9APOLBSOAT1MMP1
SCHEMBL9192201 0.73 ALDH1A1 (0.49) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9265603 0.71 HTT (0.68) ULK1RAB9APOLBSOAT1MMP1
SCHEMBL9257327 0.71 SOAT1 (0.86) SOAT1
SCHEMBL10587602 0.71 SOAT1 (0.86) SOAT1
SCHEMBL9784452 0.71 SOAT1 (0.77) POLBSOAT1MMP1MMP2MMP9
SCHEMBL9256286 0.71 SOAT1 (0.74) 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
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
EP-0500348-B1 Disubstituted ureas and thioureas PHARMACIA SPA (IT) 1995-05-17 EP disclosed
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