SCHEMBL9160933

SCHEMBL9160933

ON=CC1=Cc2cc(Cc3ccccc3)ccc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.37
PARP11 Q9NR21 1/20 0.35
TACR3 P29371 3/20 0.34
TACR1 P25103 2/20 0.34
FGF23 Q9GZV9 1/20 0.33
CYP2C9 P11712 1/20 0.33
HNF4A P41235 1/20 0.33
SLC22A2 O15244 1/20 0.33
CALM1 P0DP23 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PDK2 Q15119 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL9160926 1.00 IDH1 (0.37) IDH1PARP11TACR3TACR1FGF23
SCHEMBL9162672 0.80 MAOA (0.45) CA2NPC1NFKB1RAB9ANFKB2
SCHEMBL9162668 0.80 MAOA (0.45) CA2NPC1NFKB1RAB9ANFKB2
SCHEMBL9159101 0.79 FGF23 (0.42) FGF23SMN1; SMN2
SCHEMBL9159093 0.79 FGF23 (0.42) FGF23SMN1; SMN2
SCHEMBL9164375 0.76 ALDH1A1 (0.34) FGF23SMN1; SMN2
SCHEMBL9164371 0.76 ALDH1A1 (0.34) FGF23SMN1; SMN2
SCHEMBL9164541 0.76 ALDH1A1 (0.40) FGF23
SCHEMBL9164535 0.76 ALDH1A1 (0.40) FGF23
SCHEMBL9160772 0.74 THRB (0.40) IDH1PARP11TACR3TACR1CYP2C9

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
EP-0408760-B1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1995-03-15 EP disclosed
EP-0408760-A1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-23 EP disclosed