SCHEMBL8400044

SCHEMBL8400044

CCCCP(CCCC)(CCCC)(CCCC)OB(OCCCC(c1ccccc1)c1ccccc1)OCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HRH1 P35367 5/20 0.41
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CALM1 P0DP23 1/20 0.35
POLB P06746 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL8398399 0.95 HTR2A (0.39) HTR2AHRH1SIGMAR1NPC1RAB9A
SCHEMBL8395239 0.90 CYP19A1 (0.35) HTR2AHRH1HRH3CYP19A1
SCHEMBL8397681 0.87 HRH1 (0.44) HTR2AHRH1SIGMAR1LMNAPOLB
SCHEMBL8398772 0.85 CYP19A1 (0.33) HTR2ALMNAPOLBHRH3CYP19A1
SCHEMBL8398803 0.81 HRH1 (0.42) HTR2AHRH1SIGMAR1SMN1; SMN2LMNA
SCHEMBL8398752 0.77 CYP19A1 (0.37) HTR2AHRH1SIGMAR1CYP19A1
SCHEMBL8627163 0.77 HRH1 (0.41) HTR2AHRH1SIGMAR1HRH3CYP19A1
SCHEMBL8397636 0.72 CYP19A1 (0.38) HTR2AHRH1SIGMAR1HRH3CYP19A1
SCHEMBL1293020 0.71 SIGMAR1 (0.61) HTR2AHRH1SIGMAR1SMN1; SMN2LMNA
SCHEMBL8399116 0.71 CYP19A1 (0.38) HTR2AHRH1CYP19A1

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
EP-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed