SCHEMBL8078744

SCHEMBL8078744

COc1ccc2cc(O)ccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.49
ESR2 Q92731 5/20 0.49
MAOB P27338 1/20 0.47
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
KDM2B Q8NHM5 4/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 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
SCHEMBL19612320 0.83 ESR1 (0.50) ESR1ESR2MAOBABL1ABCB1
SCHEMBL806517 0.81 ACHE (0.54) MAOBKDM2BTDP1POLBMEN1
SCHEMBL11075536 0.80 CYP11B1 (0.51) ESR1ESR2MAOBABL1ABCB1
SCHEMBL30503987 0.79 CA12 (0.52) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4194130 0.79 CA12 (0.52) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5752998 0.78 POLB (0.55) KDM2BPOLBMEN1KMT2A
SCHEMBL8709973 0.77 CYP1A2 (0.46) ESR1ESR2MAOBATMTDP1
SCHEMBL1477716 0.77 ESR1 (0.56) ESR1ESR2MAOBABL1ABCB1
Flavanthrinin SCHEMBL30544846 0.76 ESR1 (0.51) ESR1ESR2MAOBABL1ABCB1
Flavanthrinin SCHEMBL29054933 0.76 ESR1 (0.51) ESR1ESR2MAOBABL1ABCB1

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-0710367-B1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2000-08-30 EP disclosed
US-5637262-A REVERSIBLE PHOTOCHROMIC DYES FOR OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1997-06-10 US disclosed
EP-0710367-A4 1996-05-15 EP disclosed
EP-0710367-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-05-08 EP disclosed
US-5466398-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-11-14 US disclosed
WO-1995000867-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed