SCHEMBL3075596

SCHEMBL3075596

CCCCC(CC)CC(CC(CC)CCCC)(OCC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
CA2 P00918 5/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.34
PAM P19021 2/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL30402681 0.88 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMCA2
SCHEMBL3394207 0.81 CYP3A4 (0.44) CYP3A4TSHRTDP1ATMCA2
SCHEMBL11578529 0.80 CYP3A4 (0.40) CYP3A4TSHRTDP1ATMCA2
SCHEMBL11578532 0.79 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMCA2
SCHEMBL195213 0.76 TSHR (0.38) CYP3A4TSHRTDP1ATMCA2
SCHEMBL4348772 0.75 CYP3A4 (0.38) CYP3A4TSHRTDP1ATMCA2
SCHEMBL453703 0.74 CA2 (0.48) CYP3A4TSHRTDP1ATMCA2
SCHEMBL27893103 0.74 CYP3A4 (0.40) CYP3A4TSHRTDP1ATMCA2
SCHEMBL5718430 0.73 CA2 (0.47) CYP3A4TSHRTDP1ATMCA2
SCHEMBL1116222 0.73 CA2 (0.48) CYP3A4TSHRTDP1ATMCA2

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
WO-2010105123-A1 VISION ENHANCING OPTICAL ARTICLES TRANSITIONS OPTICAL, INC. (US) 2010-09-16 WO disclosed
US-20100232003-A1 VISION ENHANCING OPTICAL ARTICLES TRANSITIONS OPTICAL, INC. (US) 2010-09-16 US disclosed
US-20080187749-A1 OPTICAL ELEMENT HAVING LIGHT INFLUENCING PROPERTY PPG INDUSTRIES OHIO, INC. (US) 2008-08-07 US disclosed
WO-2008088633-A1 OPTICAL ELEMENT HAVING LIGHT INFLUENCING PROPERTY PPG INDUSTRIES OHIO, INC. (US) 2008-07-24 WO disclosed
US-6433043-B1 EPOXIDE; AND NAPHTHOPYRAN, QUINOPYRAN, INDENONAPHTHOPYRAN, PHENANTHROPYRAN, BENZOPYRAN, FULGIDES, FULGIMIDES, AND/OR METAL DITHIOZONATE PHOTOCHROMIC COMPOUND; OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. 2002-08-13 US disclosed