SCHEMBL8801653

SCHEMBL8801653

COCOc1c(NC(=O)NCCC(=O)N(CCO)CCO)cc(OC)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.34
VNN1 O95497 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL8798606 0.87 ALOX5 (0.32) LPAR1LMNAALOX5PTGS1PTGS2
SCHEMBL8798461 0.85 CA1 (0.41) LPAR1VNN1LMNAMEN1KMT2A
SCHEMBL8798615 0.83 LPAR1 (0.30) LPAR1
SCHEMBL8798603 0.79 LPAR1 (0.32) LPAR1
SCHEMBL8702761 0.77 LPAR1 (0.39) LPAR1MEN1KMT2A
SCHEMBL8703601 0.74 MAPK14 (0.47) LPAR1LMNAMEN1KMT2A
SCHEMBL8798636 0.71 KDM4E (0.51) KMT2AL3MBTL1
SCHEMBL8798530 0.71 SMN1; SMN2 (0.31)
SCHEMBL8804341 0.71 LMNA (0.34) LMNAMEN1KMT2A
SCHEMBL8798307 0.69 ALDH1A1 (0.45) LPAR1

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
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed