SCHEMBL29910319

SCHEMBL29910319

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(c7c(c8ccccc58)OC(c5ccc(OC)cc5)(c5ccc(N8CCOCC8)cc5)C=C7)C6(C)C)c(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
BTK Q06187 4/20 0.34
RAF1 P04049 3/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
RARB P10826 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRAF P15056 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1331933 1.00 NPC1 (0.34) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL1332433 0.95 MCHR1 (0.33) MAPTSMN1; SMN2TP53KDM4EMEN1
SCHEMBL1333856 0.95 MAPT (0.33) CTSSRAF1MAPTKDM4EALDH1A1
SCHEMBL29910249 0.95 MAPT (0.33) CTSSRAF1MAPTKDM4EALDH1A1
SCHEMBL12573754 0.88 MAPT (0.35) NPC1RAB9ARAF1MAPTSMN1; SMN2
SCHEMBL1332426 0.88 MAPT (0.35) NPC1RAB9ARAF1MAPTSMN1; SMN2
SCHEMBL2019117 0.88 FGFR1 (0.38) BTKRAF1MAPK14RARBBRAF
SCHEMBL12573758 0.88 FGFR1 (0.38) BTKRAF1MAPK14RARBBRAF
SCHEMBL9968003 0.87 FGFR1 (0.35) BTKRAF1MAPTRARBBRAF
SCHEMBL1332389 0.87 FGFR1 (0.35) BTKRAF1MAPTRARBBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895896-B1 A PHOTOCHROMIC ARTICLE HAVING AT LEAST PARTIALLY CROSSED POLARIZED PHOTOCHROMIC-DICHROIC AND FIXED-POLARIZED LAYERS TRANSITIONS OPTICAL INC (US) 2022-11-02 EP disclosed