SCHEMBL7275950

SCHEMBL7275950

NCc1ccc(CCC(=O)NC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
HDAC1 Q13547 2/20 0.38
ALDH1A1 P00352 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
KLKB1 P03952 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
MTNR1A P48039 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL7280208 0.93 LTA4H (0.43) LTA4HHDAC1ALDH1A1SIGMAR1MEN1
SCHEMBL7281870 0.92 TPSAB1 (0.39) LTA4HHDAC1ALDH1A1SIGMAR1KLKB1
SCHEMBL7282210 0.90 SIGMAR1 (0.44) LTA4HALDH1A1SIGMAR1MEN1CYP1A2
SCHEMBL7283915 0.90 SIGMAR1 (0.41) LTA4HALDH1A1SIGMAR1MEN1CYP1A2
SCHEMBL7272956 0.89 MMP2 (0.41) HDAC1ALDH1A1SIGMAR1MTNR1ASMN1; SMN2
SCHEMBL7284039 0.89 ITGB3 (0.42) HDAC1ALDH1A1KLKB1SMN1; SMN2TSHR
SCHEMBL7281757 0.89 MMP2 (0.41) HDAC1ALDH1A1SIGMAR1MTNR1ASMN1; SMN2
SCHEMBL7281946 0.89 MMP2 (0.41) HDAC1ALDH1A1SIGMAR1MTNR1ASMN1; SMN2
Hydrochloric Acid SCHEMBL7289827 0.88 ALDH1A1 (0.39) LTA4HHDAC1ALDH1A1SIGMAR1MEN1
Water SCHEMBL7275704 0.88 LTA4H (0.40) LTA4HHDAC1ALDH1A1LMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
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