SCHEMBL14734665

SCHEMBL14734665

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C(N)=C/c2ccc3c(c2)OCCO3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
PRSS1 P07477 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL14734650 0.95 MAPT (0.43) RAB9ANPC1MAPTSMN1; SMN2PRSS1
SCHEMBL14734651 0.92 PRSS1 (0.40) RAB9ANPC1PRSS1POLBKMT2A
SCHEMBL14734680 0.91 MAPT (0.43) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL13925724 0.89 PRSS1 (0.49) MAPTSMN1; SMN2GAAPRSS1POLB
SCHEMBL15862454 0.87 MAPT (0.45) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL15862453 0.87 MAPT (0.45) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL14734629 0.87 HTT (0.53) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL14734623 0.85 PRSS1 (0.47) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL14605719 0.84 TDP1 (0.43) MAPTSMN1; SMN2GAAPRSS1POLB
SCHEMBL14734632 0.82 HTT (0.57) MAPTGAAPRSS1KDM4EPOLB

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-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 WO disclosed