SCHEMBL8942110

SCHEMBL8942110

CCN(c1ccccc1)C(C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.44
KCNH2 Q12809 2/20 0.42
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL10409301 0.85 ALDH1A1 (0.43) ALDH1A1TSHRGLAKCNH2PGR
SCHEMBL10993844 0.84 ALDH1A1 (0.41) ALDH1A1KCNH2TP53LMNAMAPT
SCHEMBL1900060 0.84 ALDH1A1 (0.40) ALDH1A1TSHRGLAKCNH2PGR
SCHEMBL8975083 0.84 TSHR (0.46) ALDH1A1TSHRGLAKCNH2PGR
SCHEMBL9652428 0.84 TSPO (0.44) ALDH1A1TSHRGLASMN1; SMN2MEN1
SCHEMBL10973330 0.83 MAPT (0.42) ALDH1A1TP53LMNASMN1; SMN2MEN1
SCHEMBL11653002 0.83 TP53 (0.44) ALDH1A1TSHRGLAKCNH2PGR
SCHEMBL11680056 0.83 KCNH2 (0.42) ALDH1A1KCNH2PGRTP53CYP3A4
SCHEMBL11826484 0.82 ALDH1A1 (0.43) ALDH1A1TSHRGLAKCNH2PGR
SCHEMBL11672248 0.81 ALDH1A1 (0.42) ALDH1A1TSHRKCNH2PGRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547727-A RADIATION TRANSPARENT SUBSTRATE WITH RECORDING AND REFLECTION LAYERS WITH DYES OF CATIONIC AZOCYANINE DYES EASTMAN KODAK COMPANY (US) 1996-08-20 US claimed
EP-0717402-A2 Optical recording elements having recording layers containing cationic azo dyes EASTMAN KODAK COMPANY (US) 1996-06-19 EP claimed
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5547727-A RADIATION TRANSPARENT SUBSTRATE WITH RECORDING AND REFLECTION LAYERS WITH DYES OF CATIONIC AZOCYANINE DYES EASTMAN KODAK COMPANY (US) 1996-08-20 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
EP-0717402-A2 Optical recording elements having recording layers containing cationic azo dyes EASTMAN KODAK COMPANY (US) 1996-06-19 EP disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4382801-A Process for spin dyeing polymers or copolymers of acrylonitrile with quaternized heterocyclic diazo dye and tetrafluoro-borate anion CIBA-GEIGY CORPORATION (US) 1983-05-10 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed