SCHEMBL8934489

SCHEMBL8934489

O=c1oc2ccccc2cc1-c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.75
RAB9A P51151 5/20 0.75
ALDH1A1 P00352 5/20 0.75
MAOB P27338 4/20 0.75
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
GAPDH P04406 2/20 0.67
GAA P10253 2/20 0.67
HPGD P15428 2/20 0.67
NCOA1 Q15788 1/20 0.67
NCOA3 Q9Y6Q9 1/20 0.67
ESR1 P03372 1/20 0.67
ESR2 Q92731 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MAPT P10636 4/20 0.59
GLA P06280 2/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56

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
SCHEMBL177366 0.86 RAB9A (1.00) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL30356319 0.86 RAB9A (1.00) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL3490539 0.83 MAOB (0.71) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL250083 0.83 RAB9A (0.79) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL29517170 0.82 RAB9A (0.78) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL24055368 0.81 RAB9A (0.66) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL24055369 0.81 KDM4E (0.66) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL2929526 0.80 ALDH1A1 (0.75) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL23212283 0.80 RAB9A (0.75) KDM4ERAB9AALDH1A1MAOBNPC1
SCHEMBL4064740 0.80 ALDH1A1 (1.00) KDM4ERAB9AALDH1A1MAOBNPC1

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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed