SCHEMBL6819481

SCHEMBL6819481

COc1cc2cc(C(=O)c3ccccc3)cc(OC(C)=O)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 2/20 0.47
CYP2D6 P10635 1/20 0.47
ELANE P08246 1/20 0.46
CNR2 P34972 2/20 0.46
CASP3 P42574 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6815095 0.83 CNR2 (0.54) TSHRMAPTMAPK1CYP1A2CYP2C19
SCHEMBL6131966 0.81 PKM (0.52) TSHRMAPTCNR2CYP3A4KDM4E
SCHEMBL6818862 0.81 TUBB4A (0.50) TSHRMAPTMAPK1CYP1A2CYP2C19
SCHEMBL18288083 0.78 HPGD (0.53) TSHRMAPTMAPK1CYP1A2CYP2C19
SCHEMBL6345952 0.76 HPGD (0.62) TSHRMAPTCYP1A2CYP2C19HPGD
SCHEMBL7995114 0.75 TNFSF11 (0.61) TSHRMAPTHPGDKDM4ERECQL
SCHEMBL6611954 0.75 MAPT (0.63) TSHRMAPTMAPK1CYP1A2CYP2C19
SCHEMBL1333620 0.74 CYP1A2 (0.81) TSHRMAPTCYP1A2CYP2C19HPGD
SCHEMBL2450750 0.74 TUBB4A (0.72) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL9343741 0.74 CA12 (0.63) TSHRMAPTMAPK1CYP1A2CYP2C19

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-1214311-B1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2004-09-15 EP disclosed
EP-1214311-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
US-6296785-B1 OPHTHALMIC AND CONTACT LENSES; WINDOWS, SAFETY GLASS FOR CARS PPG INDUSTRIES OHIO, INC. 2001-10-02 US disclosed
WO-2001019813-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed