SCHEMBL9770803

SCHEMBL9770803

C#CCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
KMT2A Q03164 7/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
PAX8 Q06710 1/20 0.44
CTSK P43235 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL18423387 0.89 ALDH1A1 (0.69) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL9676547 0.82 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL41372 0.81 ALDH1A1 (0.82) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL16591747 0.81 ALDH1A1 (0.62) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL11964589 0.80 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL29093960 0.78 ALDH1A1 (0.41) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL1582969 0.77 ALDH1A1 (0.91) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL1820762 0.77 ALDH1A1 (1.00) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14053064 0.76 ALDH1A1 (0.51) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL8970657 0.75 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7892063-B2 Method of manufacturing tubular carbon molecule and tubular carbon molecule, method of manufacturing recording apparatus and recording apparatus, method of manufacturing field electron emission device and field electron emission device, and method of manufacturing display unit and display unit SONY CORPORATION (JP) 2011-02-22 US disclosed
EP-0223327-B1 TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-16 EP disclosed
US-4999043-A Triazolylmethyl tert-butyl carbinol derivatives which have plant growth regulating properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0212841-B1 SUBSTITUTED HYDROXYBUTYNYL AZOLES AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 EP disclosed
US-4895589-A TRIAZOLE, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
EP-0223327-A1 Triazolylmethyl-tert.-butyl-carbinol derivatives, processes for their preparation and their use as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 EP disclosed
EP-0212841-A2 Substituted hydroxybutynyl azoles as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-04 EP disclosed