SCHEMBL983417

SCHEMBL983417

Cc1cccc(OC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
MDM2 Q00987 1/20 0.41
NCEH1 Q6PIU2 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
SCHEMBL983421 1.00 ALDH1A1 (0.58) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL11233959 0.88 ALDH1A1 (0.60) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL28615624 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL14276253 0.84 MDM2 (0.59) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL48360 0.81 GPR35 (0.53) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL27594606 0.81 GPR35 (0.53) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL48361 0.81 GPR35 (0.53) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL1616513 0.80 ALDH1A1 (0.69) ALDH1A1TDP1TSHRL3MBTL1HPGD
SCHEMBL21963224 0.80 TLR8 (0.44) ALDH1A1TDP1L3MBTL1HPGDPOLB
SCHEMBL5587600 0.79 ALDH1A1 (0.43) ALDH1A1TDP1TSHRL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226377-A Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2021-08-06 CN disclosed
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
CN-1111152-C method for producing aromatic carbonates ASAHI CHEMICAL IND (JP) 2003-06-11 CN 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
CN-1265641-A method for producing aromatic carbonates ASAHI CHEMICAL IND (JP) 2000-09-06 CN disclosed
CN-1159442-A Method for preparation aromatic carbonic ether GEN ELECTRIC (US) 1997-09-17 CN disclosed
CN-1030073-C Process for continuous production of aryl carbonate ASAHI CHEMICAL IND (JP) 1995-10-18 CN disclosed
CN-1064677-A PROCESS FOR PREPARING AROMATIC CARBONATE ASAHI CHEMICAL IND (JP) 1992-09-23 CN disclosed