SCHEMBL4233175

SCHEMBL4233175

[CH2]C(C)(CCc1ccc(-c2ccc(Br)cc2F)cc1)CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL589892 0.81 S1PR1 (0.37) RARB
SCHEMBL589158 0.77 S1PR1 (0.40) RARB
SCHEMBL590675 0.75 S1PR1 (0.48)
SCHEMBL6684291 0.72 RARB (0.48) RARBMMP1MMP2MMP3MMP7
SCHEMBL10168087 0.71 MMP1 (0.37) MMP1MMP2MMP3MMP7MMP9
SCHEMBL4186955 0.69 RARB (0.56) RARBMMP1MMP2MMP3MMP7
SCHEMBL8208555 0.69 DGAT1 (0.54) MMP1MMP2MMP3MMP7MMP9
SCHEMBL11495636 0.69 MMP1 (0.42) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6687063 0.68 ALOX5AP (0.43) RARBMMP1MMP2MMP3MMP7
SCHEMBL222565 0.68 RARB (0.61) RARB

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-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP disclosed