SCHEMBL10885773

SCHEMBL10885773

Nc1cc(OC(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
GAA P10253 7/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
THRB P10828 3/20 0.55
RECQL P46063 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
HSD17B10 Q99714 5/20 0.42
ALOX15 P16050 4/20 0.42
HPGD P15428 3/20 0.42
ALOX12 P18054 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL3675934 0.86 KDM4E (0.58) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7759781 0.83 NR4A1 (0.54) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL14859395 0.80 KMT2A (0.60) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1552395 0.80 MAPT (0.42) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL10346233 0.78 TDP1 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11567274 0.78 CA12 (0.45) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL10699551 0.78 ALDH1A1 (0.53) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7551541 0.78 KDM4E (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL29462465 0.76 ALDH1A1 (0.65) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL29935746 0.76 ALDH1A1 (0.65) ALDH1A1GAAMAPTMEN1KMT2A

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-0082415-B1 HEAVY METAL COMPLEX AZO COMPOUNDS SOLUBLE IN WATER, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-30 EP disclosed
EP-0082415-A1 Heavy metal complex azo compounds soluble in water, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-29 EP disclosed