SCHEMBL9014752

SCHEMBL9014752

CC(C)c1cc(C(C)C)c(S(=O)(=O)c2ncc[nH]2)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.47
FABP3 P05413 2/20 0.47
FABP5 Q01469 1/20 0.47
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TXNRD1 Q16881 1/20 0.38
PDE4B Q07343 1/20 0.36
NR3C1 P04150 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL8989764 0.76 FABP4 (0.69) FABP4FABP3FABP5TDP1GAA
SCHEMBL10416063 0.74 NAMPT (0.39) TDP1ALDH1A1TXNRD1TAAR1ADRA2A
SCHEMBL8601736 0.73 FABP4 (0.47) FABP4FABP3FABP5TDP1GAA
SCHEMBL502541 0.72 TXNRD1 (0.44) ALDH1A1TXNRD1TAAR1
SCHEMBL4735410 0.71 RAPGEF4 (0.44) TDP1ALDH1A1TXNRD1
SCHEMBL9496309 0.71 FABP4 (0.49) FABP4FABP3FABP5TDP1GAA
Bromide SCHEMBL28322202 0.70 TXNRD1 (0.43) ALDH1A1TXNRD1
SCHEMBL9498373 0.70 FABP4 (0.47) FABP4FABP3FABP5TDP1GAA
SCHEMBL7974947 0.69 FABP4 (0.46) FABP4FABP3FABP5TDP1GAA
SCHEMBL2946584 0.68 FABP4 (0.62) FABP4FABP3FABP5TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336756-A A kind of hydrogenation-dehalogenation method of halogenated aromatic 河南大学 2019-02-15 CN claimed
CN-103497149-A Preparation method of 5-aminomethyl pyridine derivative RENNOTECH CO LTD 2014-01-08 CN claimed
CN-109336756-B Hydrogenation dehalogenation method of halogenated aromatic hydrocarbon 河南大学 2021-05-11 CN disclosed
CN-109336756-A A kind of hydrogenation-dehalogenation method of halogenated aromatic 河南大学 2019-02-15 CN disclosed
CN-103497149-A Preparation method of 5-aminomethyl pyridine derivative RENNOTECH CO LTD 2014-01-08 CN disclosed
US-5561225-A Polynucleotide analogs containing sulfonate and sulfonamide internucleoside linkages SOUTHERN RESEARCH INSTITUTE (US) 1996-10-01 US disclosed
WO-1993024468-A1 PYRIMIDINYL- AND TRIAZINYL- SALICYL- AND PICOLYLAMIDES AND THE USE, AS HERBICIDES, AND PREPARATION THEREOF CIBA-GEIGY AG (CH) 1993-12-09 WO disclosed
EP-0331032-B1 2'-DEOXY-5-FLUOROURIDINE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1993-04-28 EP disclosed
US-5032680-A Antitumor KURARAY CO., LTD. (JP) 1991-07-16 US disclosed
EP-0331032-A1 2'-Deoxy-5-fluorouridine derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 EP disclosed
EP-0251760-A2 Rubber composition Bridgestone Corporation (JP) 1988-01-07 EP disclosed
US-4677211-A Preparation of lactones SANDOZ PHARMACEUTICALS CORP. (US) 1987-06-30 US disclosed
US-4625039-A 4-trisubstituted silyl protected hydroxy-6-oxo-tetrahydropyran-2-yl-aldehyde intermediates SANDOZ PHARM. CORP. (US) 1986-11-25 US disclosed
US-4605645-A ANTITUMOR AGENTS TEIJIN LIMITED (JP) 1986-08-12 US disclosed
EP-0081386-B1 5-FLUORO-2'-DEOXYURIDINE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1985-05-29 EP disclosed
US-4474971-A ANTICHOLESTEROL AGENTS, ATHEROSCLEROSIS SANDOZ, INC. (US) 1984-10-02 US disclosed
EP-0081386-A1 5-Fluoro-2'-deoxyuridine derivatives and a process for the preparation thereof TEIJIN LIMITED (JP) 1983-06-15 EP disclosed