SCHEMBL8539760

SCHEMBL8539760

COCOc1c(C)c(C)c2c(c1C)CCC(C)(C(N)=O)O2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.54
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TTPA P49638 2/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE3A Q14432 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
SCHEMBL9257213 0.89 PSEN1 (0.67) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL15854990 0.88 PSEN1 (0.54) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8542595 0.88 PSEN1 (0.48) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9695593 0.85 PTGS1 (0.52) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16215097 0.84 PTGS1 (0.54) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8544235 0.81 TTPA (0.58) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9314887 0.79 PSEN1 (0.51) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9075342 0.79 PSEN1 (0.46) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9632542 0.78 PSEN1 (0.45) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL14950826 0.77 PTPN1 (0.57) PSEN1PTGS1PTGS2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587499-B1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR (FR) 1998-04-29 EP disclosed
EP-0587499-A1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR ET COMPAGNIE (FR) 1994-03-16 EP disclosed