SCHEMBL7942009

SCHEMBL7942009

Cc1ccc2ccccc2c1OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
NCEH1 Q6PIU2 2/20 0.44
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
WDR5 P61964 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LDHA P00338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 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
SCHEMBL29356413 0.86 KDM4E (0.58) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL453345 0.86 KDM4E (0.58) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL14937495 0.85 KMT2A (0.50) TSHRCYP2A6CYP1A2HTTGAA
SCHEMBL11867995 0.84 TSHR (0.46) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL6929061 0.84 TSHR (0.46) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL11042135 0.83 TSHR (0.44) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL11042128 0.83 TSHR (0.44) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL2749709 0.83 HSD17B10 (0.46) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL27947715 0.81 TSHR (0.43) TSHRCYP2A6CYP1A2NCEH1HTT
SCHEMBL8210145 0.81 KMT2A (0.47) TSHRCYP2A6CYP1A2NCEH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084181-B Preparation method of aromatic polycarbonate ASAHI CHEMICAL IND (JP) 2011-07-27 CN disclosed
CN-101084181-A Asahi chemical corp (jp) ASAHI CHEMICAL CORP (JP) 2007-12-05 CN 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