SCHEMBL7274398

SCHEMBL7274398

NCCCCCC(=O)C(N)[C@@H]1C[C@@H](CC(=O)O)C(=O)N1CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
PTGER4 P35408 4/20 0.36
PTGER3 P43115 1/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CPB2 Q96IY4 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.34
OPRD1 P41143 1/20 0.34
MDM2 Q00987 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER2 P43116 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7272947 0.95 SIGMAR1 (0.40) MMP2SIGMAR1PTGER4PTGER3MAPT
SCHEMBL7281938 0.95 SIGMAR1 (0.40) MMP2SIGMAR1PTGER4PTGER3MAPT
SCHEMBL7281748 0.95 SIGMAR1 (0.40) MMP2SIGMAR1PTGER4PTGER3MAPT
SCHEMBL7283910 0.94 SIGMAR1 (0.40) MMP2SIGMAR1PTGER4PTGER3MAPT
SCHEMBL7282203 0.91 SIGMAR1 (0.43) SIGMAR1PTGER4PTGER3ALDH1A1TSHR
SCHEMBL7272793 0.90 CYP1A2 (0.39)
SCHEMBL7283503 0.90 MMP2 (0.38) MMP2SIGMAR1MAPTCPB2ALDH1A1
SCHEMBL7274286 0.86 PTGER4 (0.39) MMP2SIGMAR1PTGER4PTGER3MAPT
SCHEMBL7283708 0.86 MAPT (0.40) MAPT
SCHEMBL7274357 0.85 SIGMAR1 (0.40) SIGMAR1PTGER4PTGER3MAPTRXFP1

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-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed