SCHEMBL9874790

SCHEMBL9874790

CCOC(=O)c1cc(F)c(C2(C(=O)O)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 4/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28804542 0.82 TSHR (0.36) TSHRCA12CA1CA2CA7
SCHEMBL9874015 0.81 LMNA (0.40) TSHRKDM4EMAPTALOX15ALDH1A1
SCHEMBL9873963 0.81 TSHR (0.36) TSHRCA12CA1CA2CA7
SCHEMBL2001481 0.77 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL27213906 0.73 CA12 (0.47) TSHRCA12CA1CA2CA7
SCHEMBL9874569 0.73 RORC (0.41) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL9874142 0.71 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL2184188 0.71 TSHR (0.48) TSHRCA12CA1CA2CA7
SCHEMBL9873755 0.70 MTOR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL7813719 0.70 TSHR (0.52) TSHRCA12CA1CA2CA7

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