SCHEMBL7817042

SCHEMBL7817042

C#CC(O)(c1ccc2c(c1)CCO2)c1ccccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
CXCR3 P49682 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
GSK3B P49841 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PRKCI P41743 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL7807844 0.83 PRKCI (0.38) ERN1NPC1RAB9APRKCIMAPT
SCHEMBL6168470 0.82 MEN1 (0.41) ERN1CXCR3GSK3BNPC1RAB9A
SCHEMBL7818520 0.81 PRKCI (0.40) ERN1CHRM5CHRM1GSK3BNPC1
SCHEMBL11574544 0.74 ALDH1A1 (0.41) TP53SMN1; SMN2TSHRHTTMEN1
SCHEMBL7489674 0.73 CA1 (0.46) MAPTTP53TSHRKDM4EHTT
SCHEMBL30057200 0.73 MAPT (0.44) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7552122 0.72 NFE2L2 (0.43) RAB9ASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9101266 0.71 MAPT (0.41) NPC1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL8718999 0.71 KMT2A (0.39) SMN1; SMN2HTTMEN1KMT2ANR3C1
SCHEMBL8102819 0.69 CYP1A2 (0.43) MAPTPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed