SCHEMBL6053296

SCHEMBL6053296

O=S(=O)(O)c1ccc(-c2ccccc2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
TSHR P16473 2/20 0.52
BACE1 P56817 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 2/20 0.50
BCL2L1 Q07817 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
SNCA P37840 1/20 0.46
PTGS2 P35354 2/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.45
NSD2 O96028 1/20 0.43

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
SCHEMBL8367520 0.89 BACE1 (0.54) ALOX5TSHRBACE1SMN1; SMN2ALDH1A1
SCHEMBL5305256 0.88 TSHR (0.52) ALOX5TSHRBACE1SMN1; SMN2ALDH1A1
SCHEMBL30269780 0.86 CA2 (0.59) ALOX5BACE1ALDH1A1HSD17B10HPGD
2-Phenylphenol SCHEMBL11847023 0.85 ALDH1A1 (0.59) ALOX5TSHRBACE1SMN1; SMN2ALDH1A1
SCHEMBL9766541 0.85 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1HDAC6SNCA
SCHEMBL9766558 0.85 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1HDAC6SNCA
SCHEMBL28971555 0.85 ALOX5 (0.52) ALOX5BACE1ALDH1A1HSD17B10HPGD
SCHEMBL7408087 0.83 TSHR (0.47) TSHRBACE1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7609573 0.83 ALDH1A1 (0.55) TSHRSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL27680510 0.83 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1HSD17B10BCL2L1

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
WO-2015183931-A1 STABILIZED CHEMILUMINESCENT SYSTEM LI-COR, INC. (US) 2015-12-03 WO claimed
EP-1682499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2006-07-26 EP disclosed
WO-2005047248-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2005-05-26 WO disclosed