SCHEMBL1723322

SCHEMBL1723322

COc1ccc(C)c(-c2cc(C)ccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALKBH3 Q96Q83 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.42
SNCA P37840 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
SCHEMBL1723829 0.91 DHFR (0.49) ACHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL7775549 0.89 ALDH1A1 (0.46) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL277532 0.89 HSP90AA1 (0.44) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17054243 0.83 ACHE (0.54) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13932512 0.83 ACHE (0.54) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20133374 0.81 TEAD4 (0.48) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21480791 0.81 CYP1A2 (0.48) ACHEALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL197716 0.81 ALDH1A1 (0.52) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL19827298 0.80 ACHE (0.45) ACHEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL277912 0.79 ACHE (0.57) ACHEALDH1A1HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP claimed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US claimed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP claimed
US-9718781-B2 Methods and compounds for treating proliferative disorders and viral infections UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-08-01 US disclosed
EP-2024443-B1 TRISAZO DYES, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM IMAGING COLORANTS LTD (GB) 2011-07-20 EP disclosed
US-7637992-B2 Trisazo dyes, compositions and ink jet printing processes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-12-29 US disclosed
US-20090208713-A1 Trisazo Compounds, Compositions and Ink Jet Printing Processes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-08-20 US disclosed
EP-2024442-A1 TRISAZO COMPOUNDS, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM Imaging Colorants Limited (GB) 2009-02-18 EP disclosed
EP-2024443-A1 TRISAZO DYES, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM Imaging Colorants Limited (GB) 2009-02-18 EP disclosed
US-20090041939-A1 Paper, overhead projector slide or printed textile; refillable ink jet printer cartridge FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-02-12 US disclosed
WO-2007132151-A1 TRISAZO DYES, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132150-A1 TRISAZO COMPOUNDS, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-11-22 WO disclosed
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP disclosed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US disclosed
US-4726844-A LIGHTFASTNESS CANON KABUSHIKI KAISHA (JP) 1988-02-23 US disclosed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP disclosed