SCHEMBL7987403

SCHEMBL7987403

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccc2c(c1)OCO2)C(O)CC(C)C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
IL1RN P18510 11/20 0.53
ERAP2 Q6P179 10/20 0.53
ERAP1 Q9NZ08 3/20 0.52
MEN1 O00255 1/20 0.51
HCRTR1 O43613 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL7986343 0.92 SMN1; SMN2 (0.56) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7989691 0.92 ECE1 (0.60) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7990128 0.91 MAPK1 (0.57) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7988051 0.90 SMN1; SMN2 (0.55) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7976134 0.90 SMN1; SMN2 (0.58) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7987407 0.89 SMN1; SMN2 (0.54) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7990814 0.89 MAPK1 (0.53) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7987378 0.88 MAPK1 (0.53) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7993252 0.88 SMN1; SMN2 (0.56) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL7986588 0.88 SMN1; SMN2 (0.56) MMP2MMP9MMP8MAPK1SMN1; SMN2

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed