SCHEMBL11228808

SCHEMBL11228808

CNc1ccc(OS(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
APP P05067 9/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL11228803 0.83 APP (0.39) ALDH1A1RECQLHSD17B10TP53CYP3A4
SCHEMBL7723231 0.82 MEN1 (0.30) MEN1KMT2A
SCHEMBL27516856 0.79
SCHEMBL497622 0.76 LMNA (0.46) ALDH1A1CYP3A4CA1CA2TSHR
SCHEMBL10779725 0.73 RXFP1 (0.53) ALDH1A1RECQLTP53ALOX15CA1
SCHEMBL7915248 0.73 MEN1 (0.48) ALDH1A1RECQLHSD17B10CYP3A4HPGD
SCHEMBL14364035 0.72 GAA (0.33) ALDH1A1HPGDTSHRSMN1; SMN2MEN1
SCHEMBL21795725 0.71 CES2 (0.37) ALDH1A1CA1CA2KMT2AGAA
SCHEMBL10395603 0.71 HPGD (0.41) CYP3A4HPGDALOX15CA1CA2
Sulfurous Acid SCHEMBL5689523 0.71 ALDH1A1 (0.68) ALDH1A1RECQLHSD17B10TP53CYP3A4

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
US-4343879-A LASERS DREXLER TECHNOLOGY CORPORATION (US) 1982-08-10 US disclosed