SCHEMBL7901014

SCHEMBL7901014

COC(=O)c1ccc(OCCc2ccccc2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK4 Q16654 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FFAR1 O14842 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 1/20 0.50
MCL1 Q07820 1/20 0.49
BCL2A1 Q16548 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7909139 0.93 MAOB (0.56) MAOBCA12CA1CA2CA7
SCHEMBL29032393 0.92 MAOB (0.52) MAOBCA12CA1CA2CA7
SCHEMBL629952 0.87 MAOB (0.74) MAOBCA12CA1CA2CA7
SCHEMBL7907433 0.87 FFAR4 (0.57) MAOBMEN1KMT2AFFAR1LMNA
SCHEMBL29032428 0.87 MAOB (0.58) MAOBCA12CA1CA2CA7
SCHEMBL11461356 0.86 PPARD (0.59) MAOBCA12CA1CA2CA7
SCHEMBL8067260 0.86 MAOB (0.58) MAOBCA12CA1CA2CA7
SCHEMBL29032468 0.85 MEN1 (0.56) MEN1KMT2AFFAR1MCL1BCL2A1
SCHEMBL7901066 0.84 MAOB (0.54) MAOBMEN1KMT2AFFAR1LMNA
Methyl 2,4-Dihydroxybenzoate SCHEMBL5199862 0.84 MAOB (0.68) MAOBCA12CA1CA2CA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438174-A Compounds and their use as MIF inhibitors 南京艾美斐生物医药科技有限公司 2023-07-14 CN disclosed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed