SCHEMBL3881114

SCHEMBL3881114

O=C1OC(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HTR2A P28223 11/20 0.46
KCNH2 Q12809 6/20 0.46
HTR2C P28335 4/20 0.46
DRD2 P14416 1/20 0.44
CGAS Q8N884 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
ALK Q9UM73 1/20 0.43
PTPRC P08575 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
WDR5 P61964 1/20 0.40

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
SCHEMBL30557434 1.00 ALDH1A1 (0.50) ALDH1A1HTR2AKCNH2HTR2CDRD2
SCHEMBL11640715 0.84 ALDH1A1 (0.48) ALDH1A1CGASCDK19ALKSMN1; SMN2
SCHEMBL11640720 0.82 ALDH1A1 (0.43) ALDH1A1HTR2AKCNH2HTR2CCGAS
SCHEMBL30382857 0.82 MMP2 (0.41) HTR2AKCNH2HTR2CDRD2HPGD
SCHEMBL9096475 0.82 MMP2 (0.41) HTR2AKCNH2HTR2CDRD2HPGD
SCHEMBL9110050 0.82 MMP2 (0.41) HTR2AKCNH2HTR2CDRD2HPGD
SCHEMBL30839895 0.82 CGAS (0.52) ALDH1A1CGASCDK19ALKMAPK1
SCHEMBL4597661 0.82 CGAS (0.52) ALDH1A1CGASCDK19ALKMAPK1
SCHEMBL2390305 0.80 ALDH1A1 (0.49) ALDH1A1CGASCDK19ALKPTPRC
SCHEMBL9268997 0.79 ALDH1A1 (0.38) ALDH1A1HTR2AKCNH2HTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052711-A2 Silicone baby products SAR HOLDINGS INTERNATIONAL LIMITED (CN) 2009-04-29 EP disclosed
EP-1424918-A2 METHOD OF TREATING HAIR WITH HEAT AND A CAP WHICH PROVIDES A SIGNAL REGARDING TREATMENT UNILEVER PLC (GB) 2004-06-09 EP disclosed
WO-2003024267-A2 METHOD OF TREATING HAIR WITH HEAT AND A CAP WHICH PROVIDES A SIGNAL REGARDING TREATMENT UNILEVER PLC (GB) 2003-03-27 WO disclosed
EP-0294724-B1 DISPLAY MATERIAL SONY CORPORATION (JP) 1992-05-20 EP disclosed
US-4940689-A Display material SONY CORPORATION (JP) 1990-07-10 US disclosed
EP-0291315-A2 Heat-sensitive recording paper FUJI PHOTO FILM CO., LTD. (JP) 1988-11-17 EP disclosed