SCHEMBL7032980

SCHEMBL7032980

C#CC(O)(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
KIF11 P52732 3/20 0.48
CYP19A1 P11511 1/20 0.47
TRPV6 Q9H1D0 2/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ACP3 P15309 1/20 0.40
HSD11B1 P28845 1/20 0.39
BACE1 P56817 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
CYP1A1 P04798 1/20 0.38
MAOB P27338 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL362964 0.87 TSHR (0.43) ALDH1A1TSHRCYP3A4PTPN1
SCHEMBL3217833 0.84 KCNN4 (0.47) ALDH1A1KIF11CYP19A1NPC1RAB9A
SCHEMBL7734271 0.82 CYP2C9 (0.48) ALDH1A1TSHRKIF11NPC1RAB9A
SCHEMBL26629595 0.82 ESR1 (0.52) ALDH1A1TSHRKIF11NPC1CYP3A4
SCHEMBL28428044 0.80 CYP3A4 (0.44) TSHRKIF11CYP19A1CYP3A4
SCHEMBL4796677 0.80 MEN1 (0.44) ALDH1A1TSHRKIF11CYP3A4CES2
SCHEMBL19562363 0.80 KIF11 (0.37) ALDH1A1TSHRKIF11CYP19A1CYP3A4
SCHEMBL11259996 0.80 AHR (0.40) ALDH1A1KIF11CYP19A1RAB9ACYP3A4
SCHEMBL8718586 0.80 CES2 (0.46) ALDH1A1TSHRCYP19A1ACP3CES2
SCHEMBL30056216 0.80 LMNA (0.41) ALDH1A1TSHRKIF11NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP disclosed
EP-1226134-B1 NAPHTHOPYRANS HAVING A PERFLUOROALKYL SUBSTITUENT IN POSITION 5, PREPARATION AND COMPOSITIONS CONTAINING THEM CORNING SA (FR) 2003-03-05 EP disclosed
US-6398987-B1 PHOTOCHROMIC; STRONG COLORABILITY; GREY; BROWN; RAPID DISCOLORATION KINETICS; CONTACT LENSES; SOLAR PROTECTION GLASSES; CAMERA OPTICS CORNING S.A. (FR) 2002-06-04 US disclosed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP disclosed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US disclosed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP disclosed
EP-0613475-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS. PPG INDUSTRIES INC (US) 1995-02-08 EP disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
EP-0613475-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1994-09-07 EP disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed
WO-1993010112-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1993-05-27 WO disclosed
US-5066818-A Lenses, plastic transparencies PPG INDUSTRIES, INC. (US) 1991-11-19 US disclosed