SCHEMBL6555908

SCHEMBL6555908

COC(=O)/C(CC(=O)O)=C(\c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
CYP19A1 P11511 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KCNK9 Q9NPC2 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
KMT2A Q03164 2/20 0.47
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F10 P00742 1/20 0.46
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46

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
SCHEMBL6555910 1.00 CES2 (0.56) CES2CES1CYP19A1NPC1RAB9A
SCHEMBL6382642 0.95 CA1 (0.52) CES2CES1NPC1RAB9ACA1
SCHEMBL1010516 0.91 TSHR (0.48) CES2CES1CYP19A1NPC1RAB9A
SCHEMBL6557668 0.90 NPC1 (0.54) CES2CES1NPC1RAB9AKCNK9
SCHEMBL6557671 0.90 NPC1 (0.54) CES2CES1NPC1RAB9AKCNK9
SCHEMBL7922894 0.89 CES2 (0.57) CES2CES1CYP19A1NPC1RAB9A
SCHEMBL7922898 0.89 CES2 (0.57) CES2CES1CYP19A1NPC1RAB9A
SCHEMBL17733164 0.89 CYP19A1 (0.60) CES2CES1CYP19A1NPC1RAB9A
SCHEMBL9899633 0.86 SMN1; SMN2 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9899631 0.86 SMN1; SMN2 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2

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-0958288-B1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT RODENSTOCK GMBH (DE) 2004-03-03 EP disclosed
EP-0987260-B1 Photochromic spirofluorenopyrans RODENSTOCK GMBH (DE) 2004-03-03 EP disclosed
US-6331625-B1 EYEGLASS LENSES; RAPID COLOR AND BRIGHTNESS ADJUSTMENT OPTISCHE WERKE G. RODENSTOCK (DE) 2001-12-18 US disclosed
US-6225466-B1 FOR ARTICLES MADE OF SYNTHETIC RESIN MATERIALS; RAPID DARKENING AND BRIGHTENING RATES, DURABILITY OPTISCHE WERKE G. RODENSTOCK (DE) 2001-05-01 US disclosed
EP-0987260-A1 Photochromic spirofluorenopyrans Optische Werke G. Rodenstock (DE) 2000-03-22 EP disclosed
EP-0958288-A1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT Optische Werke G. Rodenstock (DE) 1999-11-24 EP disclosed
WO-1999015518-A1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT OPTISCHE WERKE G. RODENSTOCK (DE) 1999-04-01 WO disclosed