SCHEMBL31675834

SCHEMBL31675834

O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.82
ESR2 Q92731 3/20 0.82
ERAP1 Q9NZ08 1/20 0.76
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
USP2 O75604 1/20 0.62
ATM Q13315 1/20 0.62
PLEC Q15149 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
MAOA P21397 3/20 0.59
HSD17B3 P37058 3/20 0.59
CA12 O43570 2/20 0.59
AKR1B1 P15121 2/20 0.59
MAOB P27338 2/20 0.59
CA9 Q16790 2/20 0.59
AKR1B10 O60218 1/20 0.59

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
SCHEMBL5082203 1.00 ESR1 (0.82) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL3366067 0.97 ESR1 (0.88) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL8934513 0.97 ESR1 (0.88) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL7165990 0.92 ESR1 (0.74) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL5142947 0.92 ESR1 (0.74) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL11478035 0.89 ERAP1 (0.74) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL5084963 0.88 NPC1 (0.73) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL7164709 0.86 ERAP1 (0.62) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL31675804 0.86 ERAP1 (0.62) ESR1ESR2ERAP1KDM4EALDH1A1
SCHEMBL1608015 0.86 ERAP1 (1.00) ESR1ESR2ERAP1KDM4EALDH1A1

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-20250263774-A1 DISCOVERING NEW XENOBIOTIC SUBSTRATES OF AN UDP-GLYCOSYLTRANSFERASE WITH A HIGH-THROUGHPUT METHOD UNIV NORTH TEXAS (US) 2025-08-21 US disclosed