SCHEMBL5351382

SCHEMBL5351382

CN1Cc2ccccc2CC1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
NR1D1 P20393 2/20 0.47
FKBP1A P62942 4/20 0.46
MMP8 P22894 2/20 0.45
MMP3 P08254 2/20 0.45
PREP P48147 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAM9 Q13443 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL10137577 0.85 FKBP1A (0.47) FKBP1AALDH1A1HPGD
SCHEMBL16879293 0.85 NR1D1 (0.59) NR1D1MMP8MMP3MMP9MMP1
SCHEMBL10893958 0.83 NPSR1 (0.53) NPSR1NR1D1FKBP1AMMP8MMP3
SCHEMBL11398579 0.83 NPSR1 (0.53) NPSR1NR1D1FKBP1AMMP8MMP3
SCHEMBL10657364 0.82 NR1D1 (0.52) NPSR1NR1D1FKBP1APREPALDH1A1
SCHEMBL10657358 0.82 NR1D1 (0.52) NPSR1NR1D1FKBP1APREPALDH1A1
SCHEMBL23182808 0.81 NPC1 (0.48) FKBP1ATMEM97SIGMAR1
SCHEMBL8233145 0.80 NPSR1 (0.53) NPSR1NR1D1FKBP1A
SCHEMBL29727828 0.80 NPSR1 (0.53) NPSR1NR1D1FKBP1A
SCHEMBL13545530 0.80 CHEK1 (0.46) NR1D1MMP3MMP9MMP1ADAM17

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
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed