SCHEMBL981152

SCHEMBL981152

Cc1cccc(OC(=O)O)c1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PAX8 Q06710 1/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL377456 0.87 ALDH1A1 (0.52) ELANEMAPTALDH1A1KDM4EGAA
SCHEMBL15125784 0.84 CA12 (0.58) MAPTALDH1A1KDM4EL3MBTL1ATM
SCHEMBL3039645 0.81 ALDH1A1 (0.59) MAPTALDH1A1TDP1L3MBTL1ATM
SCHEMBL14152718 0.81 ELANE (0.53) ELANEMAPTALDH1A1KDM4EGAA
SCHEMBL577353 0.79 PPARG (0.53) ALDH1A1KDM4ETDP1L3MBTL1ATM
Hydrochloric Acid SCHEMBL10987375 0.77 PPARG (0.51) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL9653758 0.76 MYC (0.44) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL1837507 0.76 POLB (0.57) MAPTALDH1A1KDM4EGAATDP1
SCHEMBL9364224 0.75 KDM4E (0.55) MAPTALDH1A1KDM4EGAATDP1
Biphenyl SCHEMBL17473050 0.74 PPARG (0.49) MAPTALDH1A1KDM4ETDP1L3MBTL1

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
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 US disclosed