SCHEMBL8310030

SCHEMBL8310030

CCOC(=O)c1ccc(F)c2c1SCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 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
SCHEMBL8523797 0.85 ALDH1A1 (0.35) TSHRCA12CA1CA2CA7
SCHEMBL8307279 0.85 CYP4F2 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL8312017 0.84 LMNA (0.47) TSHRCA12CA1CA2CA7
SCHEMBL8310731 0.82 ALDH1A1 (0.39) TSHRCA12CA1CA2CA7
SCHEMBL8308811 0.79 CTNNB1 (0.34) HSD17B10MAPK1
SCHEMBL8311002 0.79 HTT (0.34) TSHRHTTTP53NPSR1MAPT
SCHEMBL8307396 0.78 ALDH1A1 (0.39) TSHRCA12CA1CA2CA7
SCHEMBL8137929 0.76 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL8307322 0.76 KDM4E (0.36) CA12CA1CA2CA7CA9
SCHEMBL19991886 0.75 TSHR (0.41) 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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed