SCHEMBL6131966

SCHEMBL6131966

COC(=O)c1cc(OC(C)=O)c2cc(OC)c(OC)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
TNFSF11 O14788 1/20 0.46
PTPN11 Q06124 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BCL2L1 Q07817 1/20 0.42
CNR2 P34972 1/20 0.40
NQO1 P15559 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE3A Q14432 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
SCHEMBL22122844 0.82 SMN1; SMN2 (0.44) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6819481 0.81 TSHR (0.52) PKMMAPTTSHRTNFSF11CYP3A4
SCHEMBL29089553 0.81 KMT2A (0.48) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6132065 0.80 PTPN11 (0.58) MAPTPTPN11CYP3A4KMT2AKDM4E
SCHEMBL15012676 0.79 HTT (0.48) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2171686 0.78 LCK (0.43) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30897207 0.78 LCK (0.43) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7574341 0.78 SMN1; SMN2 (0.48) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30076482 0.78 SMN1; SMN2 (0.48) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13018859 0.77 MEN1 (0.46) PKMNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
EP-1214310-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US disclosed
WO-2001019812-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed