SCHEMBL9873451

SCHEMBL9873451

CCOC(=O)c1cc(F)c(C2CC2(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
GLA P06280 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
SCHEMBL9873432 0.77 POLB (0.35) MTORRAB9AALDH1A1KDM4EHPGD
SCHEMBL9873755 0.75 MTOR (0.42) MTORRAB9AALDH1A1KDM4EHSD17B10
SCHEMBL9875122 0.71 NFKB1 (0.33) MTORRAB9APOLBTSHRKMT2A
SCHEMBL2001481 0.71 TSHR (0.52) MTORRAB9AALDH1A1KDM4EHSD17B10
SCHEMBL9871258 0.70 MTOR (0.38) MTORRAB9AALDH1A1MAPTHTT
SCHEMBL9874781 0.70 MTOR (0.38) MTORRAB9AALDH1A1MAPTHTT
SCHEMBL27213906 0.67 CA12 (0.47) ALDH1A1KDM4EHSD17B10MAPTHTT
SCHEMBL9873963 0.67 TSHR (0.36) MTORRAB9AALDH1A1KDM4EHPGD
SCHEMBL9874142 0.66 TSHR (0.42) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL27547583 0.66 TSHR (0.42) ALDH1A1KDM4EHSD17B10MAPTHTT

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