SCHEMBL15214841

SCHEMBL15214841

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)cc4)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.36
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
BRAF P15056 3/20 0.33
BTK Q06187 2/20 0.33
MAPK14 Q16539 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CSF1R P07333 1/20 0.32
DAPK1 P53355 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK1 P28482 1/20 0.31
MET P08581 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
SCHEMBL9973065 0.96 RAF1 (0.35) RAF1MAPTMEN1KMT2AALDH1A1
SCHEMBL12553439 0.96 RAF1 (0.34) RAF1CTSLCTSSCTSKMAPT
SCHEMBL15214826 0.95 MAPK14 (0.34) RAF1CTSLCTSSCTSKMAPT
SCHEMBL15214871 0.95 MTTP (0.32) MEN1KMT2AMAPK14MTTP
SCHEMBL1962072 0.95 MTTP (0.32) MEN1KMT2AMAPK14MTTP
SCHEMBL12553434 0.92 MAPT (0.33) RAF1MAPTMEN1KMT2AALDH1A1
SCHEMBL9973017 0.91 RAF1 (0.34) RAF1MAPTBRAFBTKMAPK14
SCHEMBL12553436 0.91 RAF1 (0.33) RAF1CTSLCTSSCTSKMAPT
SCHEMBL12581522 0.91 MCHR1 (0.31) MTTP
SCHEMBL1964078 0.91 MCHR1 (0.31) MTTP

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