SCHEMBL11746988

SCHEMBL11746988

O=C(O)CC(CC(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 10/20 0.60
▸ FNTB P49356 10/20 0.60
▸ PTGS1 P23219 1/20 0.59
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ ALOX5 P09917 1/20 0.51
▸ GABBR2 O75899 1/20 0.50
▸ GABBR1 Q9UBS5 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ FFAR1 O14842 1/20 0.50

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
SCHEMBL11039992 0.91 GABBR2 (0.66) FNTAFNTBPTGS1KMT2AMEN1
Hydrochloric Acid SCHEMBL11273143 0.90 GABBR2 (0.64) FNTAFNTBPTGS1KMT2AMEN1
SCHEMBL29154379 0.84 FNTA (0.62) FNTAFNTBGABBR2GABBR1
SCHEMBL11141447 0.84 PTGS1 (0.65) FNTAFNTBPTGS1KMT2AMEN1
SCHEMBL6922512 0.84 KMT2A (0.70) FNTAFNTBPTGS1KMT2AMEN1
SCHEMBL7087851 0.84 KMT2A (0.70) FNTAFNTBPTGS1KMT2AMEN1
SCHEMBL7088219 0.84 KMT2A (0.70) FNTAFNTBPTGS1KMT2AMEN1
SCHEMBL5858110 0.83 L3MBTL1 (0.59) FNTAFNTBFFAR1
Hydrochloric Acid SCHEMBL7091370 0.83 KMT2A (0.68) FNTAFNTBPTGS1KMT2AMEN1
Hydrochloric Acid SCHEMBL7092750 0.83 KMT2A (0.68) FNTAFNTBPTGS1KMT2AMEN1

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-4014940-A Process for preparing m-phenoxybenzylalcohol and side-chain halogenated m-phenoxytoluene SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-03-29 — — US disclosed
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