SCHEMBL14734651

SCHEMBL14734651

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C(N)=C/c2ccc3c(c2)OCC3)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.40
MMP1 P03956 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 2/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
HDAC4 P56524 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
HDAC1 Q13547 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL14734665 0.92 RAB9A (0.44) PRSS1POLBAPEX1HTTTDP1
SCHEMBL15861984 0.89 PTPN7 (0.41) MMP1POLBAPEX1HTTTDP1
SCHEMBL15861983 0.89 PTPN7 (0.41) MMP1POLBAPEX1HTTTDP1
SCHEMBL14734650 0.88 MAPT (0.43) PRSS1POLBAPEX1HTTTDP1
SCHEMBL13925724 0.88 PRSS1 (0.49) PRSS1POLBAPEX1HTTTDP1
SCHEMBL14734645 0.87 HTT (0.51) POLBAPEX1HTTTDP1KMT2A
SCHEMBL14734680 0.85 MAPT (0.43) PRSS1POLBAPEX1HTTTDP1
SCHEMBL14605719 0.82 TDP1 (0.43) PRSS1POLBAPEX1HTTTDP1
SCHEMBL14734632 0.81 HTT (0.57) PRSS1POLBAPEX1HTTTDP1
SCHEMBL15862454 0.79 MAPT (0.45) POLBHTTKMT2ATUBB4ATUBB

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