SCHEMBL13053151

SCHEMBL13053151

CCC(C)Oc1ccc(N(c2ccc(C)cc2)c2ccc(OCC(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
TSHR P16473 3/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 6/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 3/20 0.35
XBP1 P17861 1/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ACACB O00763 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL15871058 0.89 TSHR (0.42) TP53TSHRUSP2MAPTHPGD
SCHEMBL13607354 0.88 MAPT (0.35) TP53TSHRMAPTHPGDPOLB
SCHEMBL8943823 0.82 ACHE (0.44) TP53TSHRMAPTHPGDPOLB
SCHEMBL8263616 0.80 ACHE (0.42) TSHRMAPTALDH1A1ACACBNPSR1
SCHEMBL13064360 0.80 ACHE (0.42) TSHRMAPTALDH1A1ACACBNPSR1
SCHEMBL25513374 0.80 ACHE (0.42) TSHRMAPTALDH1A1ACACBNPSR1
SCHEMBL2231003 0.79 TSHR (0.50) TP53TSHRUSP2MAPTHPGD
SCHEMBL13080936 0.79 HTT (0.34) NPC1L3MBTL1HRH3HTTLMNA
SCHEMBL8641671 0.77 USP2 (0.46) TSHRUSP2MAPTL3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL26096763 0.77 TSHR (0.49) TP53TSHRUSP2MAPTHPGD

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
US-7838131-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2010-11-23 US disclosed
US-20100044638-A1 1,3,5-Tri((2-(methyl-)benzimidazol-1-yl)-)benzene; OLED'shaving a light emission maximum wavelength of 500 nm or less wherein the minimum excitation triplet energy level of the host material is higher than the minimum excitation triplet energy level of the light emitting material FUJIFILM CORPORATION (JP) 2010-02-25 US disclosed
US-7632579-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2009-12-15 US disclosed