SCHEMBL23904754

SCHEMBL23904754

COC(=O)c1cc(C)c(N)c(OC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
PDE4B Q07343 5/20 0.40
PDE4D Q08499 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PPARA Q07869 1/20 0.38
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL25902174 0.84 PDE4D (0.41) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL30007194 0.84 EPHX2 (0.40) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL23904765 0.84 EPHX2 (0.40) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL29633602 0.83 HSD17B10 (0.45) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL23905892 0.81 CNR2 (0.49) HSD17B10CA12CA1CA2CA7
SCHEMBL23904750 0.80 EPHX2 (0.40) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL30117191 0.79 NOTUM (0.54) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL23704079 0.79 NOTUM (0.54) EPHX2PDE4BPDE4DPDE4APDE4C
SCHEMBL5787161 0.79 CA12 (0.54) HSD17B10CA12CA1CA2CA7
SCHEMBL23958621 0.79 PDE4B (0.38) EPHX2PDE4BPDE4DPDE4APDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed