SCHEMBL6233426

SCHEMBL6233426

CCc1cc([S+]([O-])c2cc(C)c(O)c(CC)c2)cc(C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAOA P21397 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HMGB1 P09429 1/20 0.31
CXCL12 P48061 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR35 Q9HC97 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL8969617 0.89 ESR1 (0.39) ESR1ESR2
SCHEMBL8575329 0.82 SHBG (0.37) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL727419 0.81 CA1 (0.50) ESR1ESR2CA1CA2ALOX5
SCHEMBL20340084 0.77 HTT (0.45) CYP3A4ALDH1A1MAPT
SCHEMBL9749694 0.73 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL31028130 0.73 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL30250589 0.73 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL30576381 0.73 ALDH1A1 (0.48) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL1021767 0.73 ALDH1A1 (0.48) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL70083 0.73 CYP3A4 (0.42) SHBGESR1ESR2GABRA1GABRB2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215103-C Process for the preparation of polycarbonates DOW GLOBAL TECHNOLOGIES CO (US) 2005-08-17 CN disclosed
EP-1274762-B1 POLYCARBONATE PREPARATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2005-05-11 EP disclosed
CN-1420901-A Polycarbonate preparation process DOW GLOBAL TECHNOLOGIES CO (US) 2003-05-28 CN disclosed
EP-1274762-A1 POLYCARBONATE PREPARATION PROCESS THE DOW CHEMICAL COMPANY (US) 2003-01-15 EP disclosed
WO-2001077204-A1 POLYCARBONATE PREPARATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2001-10-18 WO disclosed
US-6225436-B1 REACTING PHOSGENE AND DIHYDRIC PHENOL; ADDING ACYL HALIDE; ADDING A CHAIN TERMINATOR TO THE REACTION MIXTURE; COMPLETING POLYMERIZATION REACTION THE DOW CHEMICAL COMPANY 2001-05-01 US disclosed
EP-0941268-A1 POLYCARBONATES THE DOW CHEMICAL COMPANY (US) 1999-09-15 EP disclosed
WO-1998022522-A1 POLYCARBONATES THE DOW CHEMICAL COMPANY (US) 1998-05-28 WO disclosed
US-RE35499-E MOLDED ARTICLES SUCH AS COMPACT DISKS THE DOW CHEMICAL COMPANY (US) 1997-04-29 US disclosed
US-5128429-A Low temperature block polymerization without randomization RAYCHEM LIMITED (GB) 1992-07-07 US disclosed
US-4210741-A Phenolphthalein-dihydroxy aromatic compound polycarbonates THE DOW CHEMICAL COMPANY (US) 1980-07-01 US disclosed
US-4195156-A ALKALI METAL SALTS OF DIHYDROXY- BENZENE MONO OR DI SULFONIC ACIDS AS COMONOMERS THE DOW CHEMICAL COMPANY (US) 1980-03-25 US disclosed
US-4168368-A STRESS RESISTANCE THE DOW CHEMICAL COMPANY (US) 1979-09-18 US disclosed
US-4156769-A Process for making polycarbonates using 1,1-dimethyl urea compounds as the catalysts THE DOW CHEMICAL COMPANY (US) 1979-05-29 US disclosed
US-4111910-A POLYCARBONATES HAVING CARBAMATE TERMINAL GROUPS THE DOW CHEMICAL COMPANY (US) 1978-09-05 US disclosed
US-4100139-A Polycarbonates incorporating epihalohydrin residues THE DOW CHEMICAL COMPANY (US) 1978-07-11 US disclosed
US-4059566-A Process for controlling the molecular weight of polycarbonates using ammonia or ammonia compounds THE DOW CHEMICAL COMPANY (US) 1977-11-22 US disclosed
US-4055544-A Process for making polycarbonates using ammonia or ammonia compounds as the catalysts THE DOW CHEMICAL COMPANY (US) 1977-10-25 US disclosed
US-4020045-A METALLIC SULFITES THE DOW CHEMICAL COMPANY (US) 1977-04-26 US disclosed
US-3992357-A THERMOPLASTIC THE DOW CHEMICAL COMPANY (US) 1976-11-16 US disclosed