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SCHEMBL9972773

SCHEMBL9972773

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c7c(c8c(c6cc5OC)OC(c5ccc(OC)cc5)(c5ccc(OC)cc5)C=C8)C(C)(C)c5c-7cc(C(F)(F)F)cc5C(F)(F)F)c(C)c4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ MTTP P55157 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ GIPR P48546 1/20 0.31
▸ MGAT2 Q10469 1/20 0.30

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
SCHEMBL1961362 1.00 SMO (0.33) SMORAF1BRAFMCHR1MTTP
SCHEMBL15214844 0.98 MTTP (0.33) SMORAF1BRAFMCHR1MTTP
SCHEMBL1960109 0.98 MTTP (0.33) SMORAF1BRAFMCHR1MTTP
SCHEMBL1962042 0.98 RAF1 (0.31) SMORAF1BRAF
SCHEMBL12553415 0.98 RAF1 (0.31) SMORAF1BRAF
SCHEMBL1964161 0.97 PLG (0.32) SMORAF1BRAFMCHR1GCGR
SCHEMBL9973011 0.97 PLG (0.32) SMORAF1BRAFMCHR1GCGR
SCHEMBL12553402 0.96 MGAT2 (0.32) SMOMCHR1MGAT2
SCHEMBL9973069 0.96 MTTP (0.32) SMORAF1BRAFMTTPGCGR
SCHEMBL1963225 0.96 MTTP (0.32) SMORAF1BRAFMTTPGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 — — EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 — — EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 — — US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed