SCHEMBL8782882

SCHEMBL8782882

Fc1ccccc1C1C=Cc2c(ccc3ccccc23)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
AR P10275 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPRT1 P00492 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8630134 0.81 CA12 (0.38) DPP4CA12CA9KDM4EGLA
SCHEMBL28888143 0.73 CA12 (0.46) CA12CA9KDM4EGLAHPGD
SCHEMBL17227896 0.72 CYP19A1 (0.36) KDM4EMEN1GAAKMT2A
SCHEMBL17220879 0.72 CYP19A1 (0.36) KDM4EMEN1GAAKMT2A
SCHEMBL28424988 0.69 CA12 (0.45) CA12CA9KDM4EGLAHPGD
SCHEMBL7731885 0.68 PRKDC (0.34) CA12CA9KDM4EHPGDALDH1A1
SCHEMBL643216 0.67 KDM1A (0.38) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL18049790 0.66 HPRT1 (0.32) CA12CA9HPRT1
SCHEMBL9245394 0.63 ALDH1A1 (0.41) CA12CA9KDM4EHPGDALDH1A1
SCHEMBL31488657 0.63 CA12 (0.49) CA12CA9KDM4EGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560898-B1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES INC (US) 1997-03-26 EP claimed
EP-0560898-A4 PHOTOCHROMIC NAPHTHOPYRANS 1993-11-18 EP claimed
EP-0560898-A1 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1993-09-22 EP claimed
WO-1992009593-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1992-06-11 WO claimed
EP-0560898-B1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES INC (US) 1997-03-26 EP disclosed
US-5340857-A Ophthalmic lenses, plastic transparencies PPG INDUSTRIES, INC. (US) 1994-08-23 US disclosed
EP-0560898-A4 PHOTOCHROMIC NAPHTHOPYRANS 1993-11-18 EP disclosed
EP-0560898-A1 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1993-09-22 EP disclosed
US-5244602-A Photochromic articles comprising polymerized organic host material and naphthopyran PPG INDUSTRIES, INC. (US) 1993-09-14 US disclosed
WO-1992009593-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1992-06-11 WO disclosed