SCHEMBL7282844

SCHEMBL7282844

C=CC[C@@H]1C[C@@H](CO)N(CCCCOc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
KCNA3 P22001 1/20 0.36
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7275578 0.89 ALOX12 (0.37) ALOX12SMN1; SMN2KCNA3MAPTRAB9A
SCHEMBL8881174 0.89 ALOX12 (0.37) ALOX12SMN1; SMN2KCNA3MAPTRAB9A
SCHEMBL8881170 0.89 ALOX12 (0.37) ALOX12SMN1; SMN2KCNA3MAPTRAB9A
SCHEMBL7276025 0.84 RAB9A (0.47) ALOX12ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL7283442 0.84 GAA (0.39) RAB9AMEN1KMT2A
SCHEMBL7274552 0.83 TK1 (0.34) ALOX12TEAD1TEAD3
SCHEMBL7275324 0.83 CHRNB4 (0.39) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL7276128 0.83 LTA4H (0.46) SPHK1MEN1KMT2A
SCHEMBL7285068 0.81 HRH3 (0.41) MMP2MEN1KMT2A
SCHEMBL7274062 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A

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