SCHEMBL9178169

SCHEMBL9178169

Oc1c(C2CCCCC2)cc(CCCCCCCCCCCc2cc(C3CCCCC3)c(O)c(C3CCCCC3)c2)cc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.49
BACE1 P56817 1/20 0.49
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 6/20 0.37
CNR2 P34972 4/20 0.37
PTGS2 P35354 3/20 0.36
HSP90AA1 P07900 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
CBS P35520 1/20 0.34
CXCR4 P61073 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9184053 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9182020 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9180598 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9183822 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9180445 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9180283 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9178612 1.00 NUDT1 (0.49) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9182472 0.98 NUDT1 (0.50) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL9178632 0.93 NUDT1 (0.44) NUDT1BACE1KDM4EMEN1MAPT
SCHEMBL201160 0.92 PTGS2 (0.50) NUDT1BACE1KDM4ECNR1CNR2

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
US-5473003-A A styrene copolymer blend comprising a stabilizer for heat, oxidation, chemical and actinic radiation resistance CIBA-GEIGY CORPORATION (US) 1995-12-05 US disclosed