SCHEMBL7910880

SCHEMBL7910880

COC(=O)c1ccc(OCc2ccc3c(c2)OCO3)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.60
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.55
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
MAOA P21397 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
EDNRB P24530 2/20 0.50
EDNRA P25101 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL7910955 0.89 MAOB (0.66) MAOBRAB9ANPC1KMT2AMAOA
SCHEMBL28628885 0.87 KMT2A (0.62) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL7911107 0.85 RAB9A (0.63) MAOBRAB9ANPC1KMT2AKDM4E
SCHEMBL3962253 0.85 MAOB (0.61) MAOBRAB9ANPC1KMT2AKDM4E
SCHEMBL7907439 0.83 MAOB (0.56) MAOBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7908641 0.82 ALOX5 (0.55) MAOBNPC1MAOA
SCHEMBL7910948 0.81 MAOB (0.57) MAOBRAB9ANPC1KMT2AKDM4E
SCHEMBL7911112 0.81 MAOB (0.57) MAOBRAB9ANPC1KMT2AKDM4E
SCHEMBL7910894 0.81 FFAR4 (0.65) MAOBKMT2AMAOAL3MBTL1LMNA
SCHEMBL3191667 0.80 MAOB (0.58) MAOBRAB9ANPC1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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