SCHEMBL8543296

SCHEMBL8543296

CC1(C(N)=S)CCc2cc(O)c(C(C)(C)C)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATP2A3 Q93084 1/20 0.36
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
PPARA Q07869 1/20 0.31

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
SCHEMBL9653472 0.87 BCHE (0.40) BCHEALOX15KDM4EALDH1A1CYP1A2
SCHEMBL9253558 0.83 PPARA (0.44) ALOX15KDM4EALDH1A1CYP1A2MAPT
SCHEMBL1151712 0.80 ALOX15 (0.42) BCHEALOX15KDM4EALDH1A1CYP1A2
SCHEMBL8544173 0.80 PPARA (0.35) BCHEKDM4EMAPTPPARA
SCHEMBL11703740 0.79 ALOX15 (0.41) BCHEALOX15KDM4EALDH1A1CYP1A2
SCHEMBL9247063 0.79 NFKB1 (0.36) BCHEALDH1A1LMNAPPARA
SCHEMBL4462820 0.76 ALOX15 (0.41) BCHEALOX15KDM4EALDH1A1CYP1A2
SCHEMBL11705197 0.76 BCHE (0.41) BCHEALOX15KDM4EALDH1A1CYP1A2
SCHEMBL11346965 0.75 ALOX15 (0.37) BCHEALOX15KDM4EALDH1A1CYP1A2
SCHEMBL9313651 0.74 LMNA (0.45) CYP1A2MAPTLMNATP53PPARA

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-0587499-B1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR (FR) 1998-04-29 EP disclosed