SCHEMBL8943732

SCHEMBL8943732

Nc1ccc(CCC(=O)NC[C@@H]2C[C@H](CCC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HDAC1 Q13547 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MTNR1A P48039 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.36
GBA1 P04062 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
PPID Q08752 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 0.92 LTA4H (0.43) LTA4HALDH1A1SIGMAR1HDAC1LMNA
SCHEMBL7274361 0.88 SIGMAR1 (0.41) LTA4HALDH1A1SIGMAR1LMNATSHR
Hydrochloric Acid SCHEMBL7289827 0.87 ALDH1A1 (0.39) LTA4HALDH1A1SIGMAR1HDAC1LMNA
SCHEMBL7274292 0.87 MMP2 (0.41) ALDH1A1SIGMAR1HDAC1LMNATSHR
SCHEMBL7275950 0.84 LTA4H (0.43) LTA4HALDH1A1SIGMAR1HDAC1LMNA
SCHEMBL7280925 0.84 LMNA (0.43) LTA4HALDH1A1HDAC1LMNATSHR
Water SCHEMBL7275711 0.83 LMNA (0.42) ALDH1A1HDAC1LMNATSHRHPGD
SCHEMBL7282210 0.80 SIGMAR1 (0.44) LTA4HALDH1A1SIGMAR1LMNATSHR
SCHEMBL7272764 0.80 SIGMAR1 (0.41) LTA4HALDH1A1SIGMAR1HDAC1LMNA
Water SCHEMBL7275704 0.80 LTA4H (0.40) LTA4HALDH1A1HDAC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed