SCHEMBL5599708

SCHEMBL5599708

CCCOC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.70
ALDH1A1 P00352 3/20 0.70
TSHR P16473 2/20 0.70
CHRM1 P11229 1/20 0.70
SLC6A2 P23975 1/20 0.70
KDR P35968 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR1H2 P55055 1/20 0.57
RNASEL Q05823 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50

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
SCHEMBL706561 0.92 ALDH1A1 (0.65) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6654130 0.91 ESR1 (0.71) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL19763407 0.90 ESR1 (0.53) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6648699 0.89 ESR1 (0.65) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL4945610 0.88 ESR1 (0.63) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6650964 0.88 ESR1 (0.63) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6652236 0.88 ESR1 (0.63) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6652345 0.88 ESR1 (0.63) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL2128648 0.87 CA12 (0.68) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6649099 0.86 ESR1 (0.60) ESR1ALDH1A1TSHRCHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103159943-B Method for synthesizing liquid crystal polyester by using rare earth catalyst KINGFA TECHNOLOGY CO., LTD. (CN) 2014-10-29 CN claimed
JP-59206334-A None JP disclosed
CN-104768914-A Method for producing 6,6'-(ethylenedioxy)di-2-naphthoic acid diester TEIJIN LTD 2015-07-08 CN disclosed
CN-103159943-B Method for synthesizing liquid crystal polyester by using rare earth catalyst KINGFA TECHNOLOGY CO., LTD. (CN) 2014-10-29 CN disclosed
CN-103159943-A Method for synthesizing liquid crystal polyester by using rare earth catalyst KINGFA SCIENCE & TECHNOLOGY CO 2013-06-19 CN disclosed
US-20070038000-A1 Method for oxidation of aromatic compound having alkyl substituent, method for production of aromatic aldehyde compound, and method for production of aromatic carboxylic acid ester NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-15 US disclosed
EP-1669340-A1 METHOD FOR OXIDIZING AROMATIC COMPOUND HAVING ALKYL SUBSTITUENT, METHOD FOR PRODUCING AROMATIC ALDEHYDE COMPOUND AND METHOD FOR PRODUCING AROMATIC CARBOXYLIC ACID ESTER Nippon Shokubai Co., Ltd. (JP) 2006-06-14 EP disclosed
US-5298593-A Polymerization of ester monomer, aromatic dicarboxylic acid, and oxyaromatic carboxylic acid MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1994-03-29 US disclosed
EP-0520428-A2 Method of producing thermotropic liquid crystalline polyester MITSUBISHI CHEMICAL CORPORATION (JP) 1992-12-30 EP disclosed
JP-S59206334-A 6-HYDROXY-2-NAPHTHOIC ACID ESTER RICOH CO LTD 1984-11-22 JP disclosed