SCHEMBL14734650

SCHEMBL14734650

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
PRSS1 P07477 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
STAT1 P42224 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL14734680 0.97 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14734665 0.95 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL13925724 0.89 PRSS1 (0.49) MAPTSMN1; SMN2KMT2ALMNAPRSS1
SCHEMBL14734651 0.88 PRSS1 (0.40) RAB9ANPC1KMT2APRSS1HTT
SCHEMBL15862389 0.87 CRHBP (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL15862388 0.87 CRHBP (0.46) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14734681 0.85 PRSS1 (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14722269 0.84 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2KMT2APKM
SCHEMBL15862122 0.84 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2KMT2APKM
SCHEMBL14722323 0.84 PTPN7 (0.44) MAPTRAB9ASMN1; SMN2KMT2APKM

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