SCHEMBL9873963

SCHEMBL9873963

CCOC(=O)c1cc(F)c(C2(C(=O)O)CC2C)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
RAB9A P51151 2/20 0.35
MTOR P42345 1/20 0.35
TP53 P04637 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9874790 0.81 TSHR (0.38) TSHRRAB9ATP53CA12CA1
SCHEMBL28804542 0.76 TSHR (0.36) TSHRRAB9ATP53CA12CA1
SCHEMBL9873493 0.75 RORC (0.40) TSHRRAB9ATP53SMN1; SMN2GAA
SCHEMBL2001481 0.74 TSHR (0.52) TSHRRAB9AMTORTP53CA12
SCHEMBL9873755 0.70 MTOR (0.42) TSHRRAB9AMTORTP53CA12
SCHEMBL27213906 0.70 CA12 (0.47) TSHRTP53CA12CA1CA2
SCHEMBL4501337 0.69 TSHR (0.46) TSHRTP53CA12CA1CA2
SCHEMBL9874015 0.69 LMNA (0.40) TSHRRAB9ATP53MAPTALDH1A1
SCHEMBL9874142 0.69 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL2184188 0.69 TSHR (0.48) TSHRTP53CA12CA1CA2

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