SCHEMBL7272956

SCHEMBL7272956

NCCCCCCC(=O)NC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
F13A1 P00488 1/20 0.40
MTNR1A P48039 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
ALOX5 P09917 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7281757 1.00 MMP2 (0.41) MMP2SIGMAR1F13A1MTNR1AALDH1A1
SCHEMBL7281946 1.00 MMP2 (0.41) MMP2SIGMAR1F13A1MTNR1AALDH1A1
SCHEMBL7283915 0.99 SIGMAR1 (0.41) MMP2SIGMAR1F13A1MTNR1AALDH1A1
SCHEMBL7282210 0.96 SIGMAR1 (0.44) SIGMAR1F13A1MTNR1AALDH1A1SMN1; SMN2
SCHEMBL7274399 0.95 MMP2 (0.42) MMP2SIGMAR1F13A1MTNR1AALDH1A1
SCHEMBL7274292 0.92 MMP2 (0.41) MMP2SIGMAR1MTNR1AALDH1A1SMN1; SMN2
SCHEMBL7274361 0.91 SIGMAR1 (0.41) MMP2SIGMAR1MTNR1AALDH1A1SMN1; SMN2
SCHEMBL7283508 0.89 HDAC3 (0.44) MMP2F13A1MTNR1AALDH1A1SMN1; SMN2
SCHEMBL7275950 0.89 LTA4H (0.43) SIGMAR1MTNR1AALDH1A1SMN1; SMN2HDAC1
SCHEMBL7272690 0.88 NAMPT (0.41) F13A1ALDH1A1SMN1; SMN2NAMPTHDAC1

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