SCHEMBL5342276

SCHEMBL5342276

CCCCOc1ccc(C=c2c(N)ccc(-c3ccc(N)cc3)c2=Cc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 4/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
AHR P35869 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP19A1 P11511 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
HSD17B10 Q99714 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL7142649 0.75 RAB9A (0.66) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL2704786 0.75 RAB9A (0.54) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5345162 0.74 MAOB (0.42) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL112238 0.73 TSHR (0.67) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL31550424 0.72 RAB9A (0.62) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL9117484 0.72 RAB9A (0.43) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL13766501 0.71 AHR (0.55) RAB9ANPC1KDM4ETDP1TSHR
SCHEMBL23803985 0.71 RARB (0.61) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL10609513 0.71 RARB (0.61) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL11856053 0.71 RAB9A (0.53) RAB9ANPC1KDM4EMAPTMEN1

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
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed