SCHEMBL28538536

SCHEMBL28538536

Cc1c(-c2ccccc2)c(=O)oc2c(C)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
ERAP1 Q9NZ08 1/20 0.52
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
PDGFRA P16234 1/20 0.46
MAPK8 P45983 1/20 0.46
CDK5 Q00535 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
KCNA3 P22001 4/20 0.45
ESR2 Q92731 2/20 0.43
NPC1 O15118 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL11491095 0.86 ERAP1 (0.49) MCL1ADORA3ADORA2AADORA1ERAP1
SCHEMBL7912329 0.81 HPGD (0.57) ADORA1ERAP1HPGDLMNAKDM4E
SCHEMBL4449250 0.79 ERAP1 (0.68) ADORA3ERAP1HPGDLMNAKDM4E
SCHEMBL28538686 0.78 ERAP1 (0.51) ADORA3ADORA2AADORA1ERAP1LMNA
SCHEMBL29839946 0.77 MCL1 (0.53) MCL1ADORA3ADORA2AADORA1HPGD
SCHEMBL17637955 0.77 ESR2 (0.59) MCL1ADORA3ADORA2AADORA1LMNA
SCHEMBL9842105 0.76 MCL1 (0.56) MCL1ADORA3ADORA2AADORA1KDM4E
SCHEMBL14266190 0.75 LMNA (0.52) MCL1ADORA3ADORA2AADORA1LMNA
SCHEMBL28540828 0.75 ERAP1 (0.45) ADORA3ADORA2AADORA1ERAP1LMNA
SCHEMBL11545707 0.75 MAOB (0.44) MCL1ADORA3ADORA2AADORA1ERAP1

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
CN-107973768-B Method for synthesizing coumarin compound in one step 江苏欣诺科催化剂有限公司 2020-11-10 CN disclosed