SCHEMBL9873432

SCHEMBL9873432

CCOC(=O)c1cc(F)c(C2CC2C(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.34
MTOR P42345 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
NPC1 O15118 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL9874781 0.84 MTOR (0.38) RAB9AMTORTSHRTP53ALDH1A1
SCHEMBL9875122 0.77 NFKB1 (0.33) POLBRAB9AMTORNFKB1NFKB2
SCHEMBL9873451 0.77 MTOR (0.37) POLBRAB9AMTORTSHRKDM4E
SCHEMBL9871258 0.77 MTOR (0.38) POLBRAB9AMTORTSHRTP53
SCHEMBL9873755 0.75 MTOR (0.42) POLBRAB9AMTORTSHRTP53
SCHEMBL27568549 0.72 POLB (0.35) POLBTSHRTP53KDM4EALDH1A1
SCHEMBL2001481 0.71 TSHR (0.52) POLBRAB9AMTORTSHRTP53
SCHEMBL17003395 0.71 CA12 (0.45) RAB9ATSHRALDH1A1HPGDMEN1
SCHEMBL17003396 0.71 CA12 (0.45) RAB9ATSHRALDH1A1HPGDMEN1
SCHEMBL2136871 0.71 ALDH1A1 (0.42) POLBTSHRKDM4EALDH1A1HPGD

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