SCHEMBL7976001

SCHEMBL7976001

CCCCC(O)C(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 8/20 0.56
IL1RN P18510 7/20 0.56
ERAP1 Q9NZ08 7/20 0.56
LNPEP Q9UIQ6 3/20 0.54
TACR1 P25103 6/20 0.51
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7990236 0.93 MAPK1 (0.53) ERAP2IL1RNERAP1TACR1MAPK1
SCHEMBL7990814 0.92 MAPK1 (0.53) MAPK1SMN1; SMN2
SCHEMBL7976016 0.91 ERAP2 (0.55) ERAP2IL1RNERAP1LNPEPTACR1
SCHEMBL8807886 0.90 MAPK1 (0.55) ERAP2ERAP1LNPEPMAPK1SMN1; SMN2
SCHEMBL7990465 0.90 MAPK1 (0.55) ERAP2ERAP1LNPEPMAPK1SMN1; SMN2
SCHEMBL7994217 0.90 MAPK1 (0.55) ERAP2ERAP1LNPEPMAPK1SMN1; SMN2
SCHEMBL7987378 0.89 MAPK1 (0.53) MAPK1SMN1; SMN2
SCHEMBL7987404 0.88 KMT2A (0.51) ERAP2IL1RNMAPK1SMN1; SMN2
SCHEMBL7993541 0.88 MAPK1 (0.54) MAPK1SMN1; SMN2
SCHEMBL7988051 0.87 SMN1; SMN2 (0.55) ERAP2IL1RNTACR1MAPK1SMN1; 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 3 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
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed