SCHEMBL8533707

SCHEMBL8533707

O=C(O)CCC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.75
LMNA P02545 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
FFAR1 O14842 1/20 0.75
CYP1A2 P05177 1/20 0.75
HIF1A Q16665 1/20 0.75
NPC1 O15118 1/20 0.61
NR4A2 P43354 1/20 0.61
KMT2A Q03164 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ABL1 P00519 1/20 0.59
POLB P06746 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
APEX1 P27695 1/20 0.59
CASP3 P42574 1/20 0.59
RECQL P46063 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
SCHEMBL2632218 0.94 RAB9A (0.68) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
SCHEMBL10884944 0.92 SMN1; SMN2 (0.88) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
Fenbufen SCHEMBL11329267 0.86 SMN1; SMN2 (1.00) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
Fenbufen SCHEMBL25117 0.86 SMN1; SMN2 (1.00) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
SCHEMBL10353454 0.85 NR4A2 (0.81) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
SCHEMBL7939950 0.85 NPC1 (0.81) RAB9ALMNANPC1L3MBTL1ALDH1A1
Fenbufen SCHEMBL11393779 0.84 SMN1; SMN2 (0.96) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
SCHEMBL8535224 0.83 SMN1; SMN2 (0.72) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
SCHEMBL7857467 0.82 KMT2A (0.89) RAB9ALMNASMN1; SMN2FFAR1CYP1A2
SCHEMBL7864069 0.82 SMN1; SMN2 (0.72) RAB9ALMNASMN1; SMN2FFAR1CYP1A2

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-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed
US-4247466-A 5-(4'-HYDROXY-4-BIPHENYLYL)-DIHYDRO-2(3H)-FURANEONE; ANTIINFLAMMATORY AGENTS; ANTICOAGULANTS AMERICAN CYANAMID COMPANY (US) 1981-01-27 US disclosed