SCHEMBL8895993

SCHEMBL8895993

OC(c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
SRD5A2 P31213 1/20 0.53
ALOX5 P09917 1/20 0.51
LTA4H P09960 2/20 0.50
TSHR P16473 1/20 0.50
MAOB P27338 1/20 0.50
AKR1C3 P42330 1/20 0.50
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
NPY5R Q15761 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL13886755 0.98 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2ASRD5A2
SCHEMBL477413 0.98 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2ASRD5A2
SCHEMBL8808481 0.88 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2ASRD5A2
SCHEMBL9631581 0.88 PTGS1 (0.61) PTGS1MEN1CYP2D6KMT2ASRD5A2
SCHEMBL11388011 0.84 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2ASRD5A2
SCHEMBL10547121 0.84 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL2353755 0.84 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL9561403 0.84 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL30358285 0.84 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL20344596 0.84 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2ASRD5A2

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
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed