SCHEMBL4324717

SCHEMBL4324717

CCCCOc1cc(Cc2ccc(N)c(OCCCC)c2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN1A P35498 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
HIF1A Q16665 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
RAD52 P43351 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL31457270 0.94 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL31457247 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL3277259 0.83 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2C9TSHRKCNH2
SCHEMBL9073465 0.81 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL8397383 0.81 CYP1A2 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL11416116 0.81 CYP1A2 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL7546340 0.81 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
Hydrochloric Acid SCHEMBL9800188 0.80 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL1342454 0.80 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE
SCHEMBL3785269 0.79 CYP1A2 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615260-B2 Active-matrix liquid crystal display HITACHI, LTD. (JP) 2009-11-10 US disclosed
US-20050012884-A1 Active-matrix liquid crystal display IPS ALPHA SUPPORT CO., LTD. (JP) 2005-01-20 US disclosed
EP-0806698-B1 In-plane switching-mode active-matrix liquid crystal display HITACHI LTD (JP) 2005-01-12 EP disclosed
US-6756089-B2 MULTILAYER; POLYAMIDEIMIDE COPOLYMER HITACHI, LTD. (JP) 2004-06-29 US disclosed
US-20010046569-A1 Active-matrix liquid crystal display IPS ALPHA SUPPORT CO., LTD. (JP) 2001-11-29 US disclosed
US-6242060-B1 MULTILAYER HITACHI, LTD. (JP) 2001-06-05 US disclosed
US-5928733-A Active-matrix liquid crystal display HITACHI, LTD. (JP) 1999-07-27 US disclosed
EP-0806698-A1 Active-matrix liquid crystal display HITACHI, LTD. (JP) 1997-11-12 EP disclosed