SCHEMBL9873755

SCHEMBL9873755

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
DHODH Q02127 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL27585785 0.82 KDM4E (0.41) MTORRAB9ATSHRKDM4EHSD17B10
SCHEMBL2001481 0.81 TSHR (0.52) MTORRAB9ATSHRKDM4EHSD17B10
SCHEMBL9871258 0.80 MTOR (0.38) MTORRAB9ATSHRCA12CA1
SCHEMBL9874781 0.80 MTOR (0.38) MTORRAB9ATSHRCA12CA1
SCHEMBL3694807 0.77 TSHR (0.53) TSHRKDM4EHSD17B10CA12CA1
SCHEMBL27213906 0.76 CA12 (0.47) TSHRKDM4EHSD17B10CA12CA1
SCHEMBL9442736 0.75 HPGD (0.52) KDM4EHSD17B10MAPTALDH1A1LMNA
SCHEMBL9873432 0.75 POLB (0.35) MTORRAB9ATSHRKDM4EHSD17B10
SCHEMBL9873451 0.75 MTOR (0.37) MTORRAB9ATSHRKDM4EHSD17B10
SCHEMBL2184188 0.74 TSHR (0.48) TSHRKDM4EHSD17B10CA12CA1

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