Coumarin

Coumarin

SCHEMBL670875

CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1.O=c1ccc2ccccc2o1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
KDM4E B2RXH2 4/20 0.78
SLC16A3 O15427 3/20 0.78
HPGD P15428 2/20 0.78
SLC16A1 P53985 2/20 0.78
ALOX15 P16050 1/20 0.78
HSD17B10 Q99714 1/20 0.78
MAOB P27338 4/20 0.67
MEN1 O00255 4/20 0.64
MAPT P10636 4/20 0.64
KMT2A Q03164 4/20 0.64
ATM Q13315 2/20 0.64
USP2 O75604 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
GLA P06280 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CA12 O43570 1/20 0.59
CA1 P00915 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
SCHEMBL42693 0.89 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
Coumarin SCHEMBL15754459 0.89 MAOB (0.67) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
SCHEMBL29775307 0.89 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
Coumarin SCHEMBL25401856 0.88 MAOB (0.80) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
SCHEMBL2504028 0.86 MAOB (0.80) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
SCHEMBL16398317 0.83 SLC16A3 (0.80) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
SCHEMBL195159 0.82 MAOB (0.73) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
SCHEMBL30785604 0.81 MAOB (1.00) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
SCHEMBL52729 0.81 MAOB (1.00) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD
Coumarin SCHEMBL30546987 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4ESLC16A3HPGD

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
WO-2011106495-A1 CYTOGENIC ANALYSIS OF METAPHASE CHROMOSOMES VENTANA MEDICAL SYSTEMS, INC. (US) 2011-09-01 WO claimed
WO-2011133625-A1 TWO-COLOR CHROMOGENIC IN SITU HYBRIDIZATION VENTANA MEDICAL SYSTEMS, INC. (US) 2011-10-27 WO disclosed
US-20110251075-A1 SYSTEM AND METHOD FOR THE ANALYSIS OF BODILY FLUIDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-10-13 US disclosed
WO-2011106495-A1 CYTOGENIC ANALYSIS OF METAPHASE CHROMOSOMES VENTANA MEDICAL SYSTEMS, INC. (US) 2011-09-01 WO disclosed
WO-2011082307-A1 SIMULTANEOUS DETECTION OF MUTATIONAL STATUS AND GENE COPY NUMBER VENTANA MEDICAL SYSTEMS, INC. (US) 2011-07-07 WO disclosed