SCHEMBL9875122

SCHEMBL9875122

CCOC(=O)c1cc(F)c(C2CC2CN(C(=O)OC)C(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CETP P11597 1/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SYK P43405 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
CPB2 Q96IY4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9871258 0.78 MTOR (0.38) POLBMTORRAB9ATSHR
SCHEMBL9873432 0.77 POLB (0.35) NFKB1NFKB2RELAPOLBMEN1
SCHEMBL9873451 0.71 MTOR (0.37) POLBMEN1KMT2AMTORRAB9A
SCHEMBL9874781 0.71 MTOR (0.38) MTORRAB9ATSHR
SCHEMBL9873755 0.69 MTOR (0.42) POLBMTORRAB9ATSHR
SCHEMBL9871944 0.68 ACACB (0.36)
SCHEMBL13945279 0.66 MAOB (0.32) MEN1KMT2A
SCHEMBL2001481 0.65 TSHR (0.52) POLBKMT2AMTORRAB9ATSHR
SCHEMBL27213906 0.64 CA12 (0.47) KMT2ATSHR
SCHEMBL12407025 0.64 MRGPRX4 (0.47) POLBMEN1KMT2ACPB2TSHR

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed