SCHEMBL5754427

SCHEMBL5754427

O=C(O)c1cc(O)c2cc3c(cc2c1-c1ccccc1)CCO3

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 12/20 0.48
FABP3 P05413 3/20 0.46
FABP5 Q01469 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
THRB P10828 1/20 0.40
PLA2G10 O15496 1/20 0.39
CNR2 P34972 1/20 0.39
ERN1 O75460 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL14848072 0.87 NPC1 (0.41) FABP4FABP3FABP5NPC1RAB9A
SCHEMBL15492789 0.78 ACMSD (0.38) FABP4THRBCNR2GPR35
SCHEMBL4684053 0.75 FABP4 (0.48) FABP4FABP3FABP5NPC1RAB9A
SCHEMBL4572102 0.74 THRB (0.45) THRBGPR35
SCHEMBL1009517 0.74 THRB (0.65) THRBGPR35
SCHEMBL13766303 0.74 FABP4 (0.38) FABP4NPC1RAB9AERN1
SCHEMBL10070477 0.73 THRB (0.39) FABP4FABP3FABP5THRBGPR35
SCHEMBL7831457 0.73 CTNNB1 (0.55) FABP4FABP3FABP5NPC1RAB9A
SCHEMBL4037029 0.72 FABP4 (0.40) FABP4FABP3FABP5NPC1RAB9A
SCHEMBL2018471 0.71 FABP3 (0.47) FABP4FABP3FABP5THRBERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446406-B1 PHOTOCHROMIC NAPHTHOPYRANS FOR OPHTHALMIC ARTICLES VISION EASE LENS INC (US) 2006-03-29 EP disclosed
US-7008568-B2 Photochromic naphthopyran compounds: compositions and articles containing those naphthopyran compounds VISION-EASE LENS, INC. (US) 2006-03-07 US disclosed
EP-1446406-A2 PHOTOCHROMIC NAPHTHOPYRANS FOR OPHTHALMIC ARTICLES Vision-Ease Lens, Inc. (US) 2004-08-18 EP disclosed
US-20030146419-A1 Photochromic naphthopyran compounds: compositions and articles containing those naphthopyran compounds VISION-EASE LENS, INC. 2003-08-07 US disclosed
WO-2003044022-A2 PHOTOCHROMIC NAPHTHOPYRAN FOR OPHTHALMIC ARTICLES VISION-EASE LENS, INC. (US) 2003-05-30 WO disclosed