SCHEMBL22280481

SCHEMBL22280481

CCCCC(CC)c1nc(-c2ccc(OCCCc3ccccc3)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
ACACB O00763 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
ACACA Q13085 1/20 0.44
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL7302299 0.78 ACACB (0.68) MAPTNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL3505092 0.77 L3MBTL1 (0.55) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL22280486 0.77 SMPD1 (0.53) PPARDPPARAACACBS1PR1S1PR3
SCHEMBL19430486 0.74 ACACB (0.46) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL20657658 0.74 S1PR1 (0.54) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL20671526 0.74 S1PR1 (0.54) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL20657656 0.74 S1PR1 (0.54) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL19091431 0.72 S1PR1 (0.61) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7297949 0.72 RAB9A (0.50) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL15671605 0.69 S1PR1 (0.49) PPARDPPARAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed