SCHEMBL7640487

SCHEMBL7640487

CCN(CCOS(=O)(=O)O)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.49
▸ ALOX15 P16050 1/20 0.46
▸ MTNR1A P48039 11/20 0.45
▸ MTNR1B P49286 11/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL7643237 0.86 MAPT (0.37) ESR1ALOX15SMN1; SMN2LMNAMAPT
SCHEMBL10892516 0.84 ESR1 (0.51) ESR1ALOX15MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7638488 0.84 MAPT (0.46) SMN1; SMN2LMNAMAPTHTTMEN1
SCHEMBL9872251 0.84 CYP3A4 (0.45) ALOX15SMN1; SMN2LMNAMAPTHTT
SCHEMBL23611519 0.82 ALOX15 (0.50) ESR1ALOX15MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7636019 0.82 TSHR (0.43) ESR1SMN1; SMN2MAPTHTTMEN1
SCHEMBL245816 0.82 MTNR1A (0.51) ESR1ALOX15MTNR1AMTNR1BSMN1; SMN2
SCHEMBL309045 0.81 MTNR1A (0.50) ESR1ALOX15MTNR1AMTNR1BSMN1; SMN2
SCHEMBL17685579 0.81 ESR1 (0.51) ESR1ALOX15MTNR1AMTNR1BSMN1; SMN2
Water SCHEMBL28663040 0.81 MTNR1A (0.50) ESR1ALOX15MTNR1AMTNR1BSMN1; SMN2

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
US-6464734-B1 USED FOR DYEING OR PRINTING HYDROXYL AND/OR CARBOXAMIDO CONTAINING MATERIALS SUCH AS POLYVINYL ALCOHOL, POLYURETHANES AND POLYAMIDES; WASHFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-10-15 — — US disclosed
EP-1134260-A1 Deep black dye mixtures of fiber-reactive azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-19 — — EP disclosed
US-4582897-A 2-AZO-4-SULFO-4-METHYLDIPHENYL SULFONE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-04-15 — — US disclosed
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