SCHEMBL7872986

SCHEMBL7872986

Cc1ccccc1OCOC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NOTUM Q6P988 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL7872982 0.82 TDP1 (0.49) TDP1ALDH1A1MAPTRXRARXRB
SCHEMBL28036386 0.79 MAPT (0.53) TDP1ALDH1A1MAPTRXRARXRB
SCHEMBL27612707 0.79 ALDH1A1 (0.52) TDP1ALDH1A1RXRARXRBRXRG
SCHEMBL3675710 0.79 CYP1A2 (0.76) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL16273360 0.78 TDP1 (0.46) TDP1ALDH1A1MAPTRXRARXRB
SCHEMBL1395765 0.78 HTT (0.61) TDP1ALDH1A1MAPTNOTUMLMNA
SCHEMBL8290730 0.75 MEN1 (0.57) TDP1ALDH1A1MAPTLMNASMN1; SMN2
O-Xylene SCHEMBL10812881 0.75 ALOX15 (0.65) TDP1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL473212 0.75 ATM (0.47) TDP1ALDH1A1MAPTRXRARXRB
Alcohol SCHEMBL29193594 0.74 TDP1 (0.47) TDP1ALDH1A1MAPTRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333441-B1 FORMING MIXTURE COMPRISING FORMIC ACID, TRIETHYLAMINE, TRIBUTYLPHOSPHINE, AND TRIS(DIBENZYLIDENEACETONE) DIPALLADIUM (0)-CHLOROFORM ADDUCT IN SOLVENT, ADDING THERETO ALKYNE UNDER EFFECTIVE REDUCTION CONDITIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
EP-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP disclosed
EP-0560532-A1 Preparation of cis-olefins NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-15 EP disclosed