SCHEMBL14734680

SCHEMBL14734680

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C=C(\N)c2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NQO1 P15559 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
KMT2A Q03164 4/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 3/20 0.40
GAA P10253 1/20 0.40

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 0.97 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2NQO1
SCHEMBL14734665 0.91 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13925724 0.89 PRSS1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14722270 0.87 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2NQO1ALDH1A1
SCHEMBL14722324 0.87 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2NQO1ALDH1A1
SCHEMBL15862121 0.87 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2NQO1ALDH1A1
SCHEMBL15862122 0.87 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2NQO1ALDH1A1
SCHEMBL14722269 0.87 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2NQO1ALDH1A1
SCHEMBL14722323 0.87 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2NQO1ALDH1A1
SCHEMBL14605719 0.86 TDP1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A

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