SCHEMBL15214826

SCHEMBL15214826

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c7c(c8c(c6cc5OC)OC(c5ccc(OC)cc5)(c5ccc(N6CCOCC6)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 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
RAF1 P04049 12/20 0.34
BTK Q06187 1/20 0.33
BRAF P15056 12/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FGFR1 P11362 2/20 0.32
DDR2 Q16832 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CSF1R P07333 1/20 0.31
DAPK1 P53355 1/20 0.31

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
SCHEMBL12553436 0.96 RAF1 (0.33) MAPK14RAF1BTKBRAFTP53
SCHEMBL9973017 0.96 RAF1 (0.34) MAPK14RAF1BTKBRAFTP53
SCHEMBL15214841 0.95 RAF1 (0.36) MAPK14RAF1BTKBRAFTP53
SCHEMBL1961362 0.95 SMO (0.33) RAF1BRAF
SCHEMBL9972773 0.95 SMO (0.33) RAF1BRAF
SCHEMBL15214844 0.93 MTTP (0.33) RAF1BRAF
SCHEMBL1960109 0.93 MTTP (0.33) RAF1BRAF
SCHEMBL1962042 0.93 RAF1 (0.31) RAF1BRAF
SCHEMBL12553415 0.93 RAF1 (0.31) RAF1BRAF
SCHEMBL12553429 0.93 BRAF (0.33) MAPK14RAF1BTKBRAFTP53

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 3 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