SCHEMBL7552122

SCHEMBL7552122

C#CC(O)(c1ccc(C(F)(F)F)cc1)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
ATM Q13315 1/20 0.40
AHR P35869 1/20 0.40
NR3C2 P08235 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.37
BACE1 P56817 1/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASR P41180 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL11574544 0.87 ALDH1A1 (0.41) NFE2L2ATMNR3C2SMN1; SMN2TSHR
SCHEMBL30057200 0.86 MAPT (0.44) NR3C2SMN1; SMN2TSHRGAATRPV1
SCHEMBL7489674 0.84 CA1 (0.46) ATMNR3C2TSHRGAAMEN1
SCHEMBL9042759 0.78 AHR (0.50) AHRMAOBRAB9AMEN1KMT2A
SCHEMBL7032980 0.77 ALDH1A1 (0.56) TSHRMAOBBACE1RAB9AALDH1A1
SCHEMBL11572643 0.74 CYP1A1 (0.42) NR3C2SMN1; SMN2GAARAB9AMEN1
SCHEMBL9101266 0.73 MAPT (0.41) AHRSMN1; SMN2GAANPSR1MEN1
SCHEMBL8102819 0.73 CYP1A2 (0.43) GAACA12CA1CA2CA7
SCHEMBL7123446 0.73 RELA (0.42) NFE2L2AHRSMN1; SMN2MAOBGAA
SCHEMBL5901796 0.73 CA12 (0.42) NFE2L2GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713486-B1 PHOTOCHROMIC NAPHTHO(2,1-B)PYRANS PILKINGTON PLC (GB) 2002-07-17 EP disclosed
US-5623005-A NAPTHOPYRAN COMPOUNDS CONTAINING AMINE SUBSTITUTION AT 6-POSITION; USEFUL TO MAKE OPHTHALMIC LENS PILKINGTON PLC (GB) 1997-04-22 US disclosed
EP-0691965-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PILKINGTON PLC (GB) 1996-12-04 EP disclosed
EP-0713486-A1 PHOTOCHROMIC NAPHTHO(2,1-B)PYRANS PILKINGTON PLC (GB) 1996-05-29 EP disclosed
US-5520853-A LIGHT SENSITIVE COMPOUNDS FOR POLYMERS OR CELLULOSE DERIVATIVES FOR LENSES PILKINGTON PLC (GB) 1996-05-28 US disclosed
EP-0691965-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PILKINGTON PLC (GB) 1996-01-17 EP disclosed
WO-1995005371-A1 PHOTOCHROMIC NAPHTHO(2,1-B)PYRANS PILKINGTON PLC (GB) 1995-02-23 WO disclosed
WO-1994022850-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PILKINGTON PLC (GB) 1994-10-13 WO disclosed