SCHEMBL11600640

SCHEMBL11600640

O=C(c1cccc(OC2CCCC2)c1)c1c(-c2ccccc2)c2ccccc2[s+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.44
OPRK1 P41145 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
OPRM1 P35372 3/20 0.36
KCNH2 Q12809 3/20 0.36
PKM P14618 1/20 0.35
OPRD1 P41143 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
NPC1 O15118 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL11602342 0.90 KAT6A (0.43) KAT6AOPRK1MEN1KMT2AEPHX2
SCHEMBL11600694 0.89 KAT6A (0.39) KAT6AKMT2AEPHX2PDE4APDE4B
SCHEMBL11598774 0.88 EPHX2 (0.41) MEN1KMT2AEPHX2KCNH2NPC1
SCHEMBL11600610 0.84 LTA4H (0.44)
SCHEMBL11600699 0.80 MAPK1 (0.46) KAT6AMEN1KMT2ANPC1
SCHEMBL11599769 0.80 HTT (0.34) MEN1KMT2ANPC1
SCHEMBL11600447 0.78 CA12 (0.41) MEN1KMT2ANPC1
SCHEMBL11600101 0.77 KAT6A (0.45) KAT6AOPRK1MEN1KMT2AEPHX2
SCHEMBL11600522 0.77 LMNA (0.39) MEN1KMT2AEPHX2NPC1
SCHEMBL11622037 0.76 KAT6A (0.46) KAT6AOPRK1MEN1KMT2AEPHX2

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-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed