SCHEMBL25888283

SCHEMBL25888283

CCC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
KIF11 P52732 1/20 0.38
FGFR2 P21802 1/20 0.38
DHODH Q02127 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL292857 0.94 RAB9A (0.47) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL23894646 0.89 MAPT (0.44) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL3625528 0.87 NPC1 (0.52) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL9473731 0.86 ALDH1A1 (0.52) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL2392625 0.84 TSHR (0.52) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL49741 0.84 TSHR (0.52) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL23589659 0.82 AKR1C3 (0.38) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL20951293 0.82 SHBG (0.53) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL12278122 0.81 NR3C2 (0.54) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL25189886 0.81 NPC1 (0.42) NPC1RAB9AMAPTHDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139526-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-07-27 WO disclosed
EP-4215535-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND Idemitsu Kosan Co.,Ltd. (JP) 2023-07-26 EP disclosed