SCHEMBL16744189

SCHEMBL16744189

Cc1ccc(NC(=O)c2ccc(C3CCC(C)CC3)cc2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2C9 P11712 1/20 0.48
XBP1 P17861 1/20 0.47
ADCY8 P40145 1/20 0.46
ADCY1 Q08828 1/20 0.46
DEGS1 O15121 1/20 0.45
LMNA P02545 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44

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
SCHEMBL15214835 0.90 HDAC3 (0.58) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL21117275 0.84 MAPT (0.49) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL9973057 0.84 MAPT (0.44) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL16744175 0.82 NPC1 (0.54) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL8771632 0.82 MAPT (0.47) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL13536568 0.80 RAB9A (0.64) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL29561404 0.80 NPC1 (0.75) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL17656088 0.79 HDAC3 (0.56) HDAC3HDAC11HDAC8HDAC6KMT2A
SCHEMBL16021428 0.79 HDAC3 (0.67) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL24696813 0.78 RAB9A (0.60) HDAC8HDAC6MAPTNPSR1MEN1

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
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed
WO-2015077147-A1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed