SCHEMBL17474752

SCHEMBL17474752

CCCC(C)C(O)COc1ccc(-c2nc(-c3ccc(OCC(O)C(C)CCC)cc3)nc(-c3ccc(C)cc3C)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
FFAR1 O14842 2/20 0.32
S1PR1 P21453 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMB5 P28074 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL25235577 0.86 NPC1 (0.40) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL2869972 0.85 LMNA (0.42) ACACBACACANPC1RAB9AMAPT
SCHEMBL4791408 0.82 PLA2G4B (0.41) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL5602705 0.82 PLA2G4B (0.41) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL1424638 0.82 PLA2G4B (0.41) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL462610 0.77 NPC1 (0.33) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL15257156 0.77 PLA2G4B (0.47) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL15257157 0.77 PLA2G4B (0.47) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL2511599 0.76 NPC1 (0.35) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL2678672 0.76 RARB (0.46) ACACBACACANPC1RAB9ASMN1; SMN2

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
EP-2985325-A1 COMPOSITION FOR FORMING FAR-INFRARED RADIATION SHIELDING LAYER Fujifilm Corporation (JP) 2016-02-17 EP disclosed
US-20160033680-A1 COMPOSITION FOR FORMING FAR-INFRARED RADIATION SHIELDING LAYER FUJIFILM CORPORATION (JP) 2016-02-04 US disclosed