SCHEMBL14734623

SCHEMBL14734623

COc1cc(/C(N)=C/c2ccc3c(c2)OCCO3)ccc1OCCCCCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.41
PNLIP P16233 1/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL14734681 0.94 PRSS1 (0.47) PRSS1RAB9ANPC1MAPTGAA
SCHEMBL14734666 0.90 NQO1 (0.47) PRSS1RAB9ANPC1MAPTGAA
SCHEMBL14722462 0.85 MAPT (0.46) RAB9ANPC1MAPTGAACASP1
SCHEMBL15862511 0.85 MAPT (0.46) RAB9ANPC1MAPTGAACASP1
SCHEMBL14734665 0.85 RAB9A (0.44) PRSS1RAB9ANPC1MAPTGAA
SCHEMBL14734667 0.83 MAOB (0.43) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14734650 0.80 MAPT (0.43) PRSS1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14722554 0.80 KMT2A (0.43) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL15862197 0.80 KMT2A (0.43) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14723465 0.78 PTPN7 (0.41) PRSS1MAPTSMN1; SMN2MEN1KMT2A

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