SCHEMBL9359773

SCHEMBL9359773

CC(Oc1ccccc1O)(Oc1ccccc1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HSD11B1 P28845 1/20 0.42
HSD17B3 P37058 1/20 0.42
GAA P10253 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
JAK2 O60674 2/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL28761122 0.83 TSHR (0.44) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1805490 0.79 CA2 (0.56) TSHRCA1CA2TP53ALDH1A1
SCHEMBL24361903 0.78 NOTUM (0.43) TSHRCA1CA2TP53ALDH1A1
SCHEMBL11259009 0.78 HSD17B10 (0.45) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1538043 0.77 PPARA (0.47) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL27210420 0.76 ALDH1A1 (0.52) TSHRCA1CA2TP53ALDH1A1
SCHEMBL3022905 0.75 TSHR (0.40) TSHRCA1CA2TP53ALDH1A1
SCHEMBL31398488 0.75 TSHR (0.52) TSHRCA1CA2TP53ALDH1A1
SCHEMBL28056177 0.75 TSHR (0.52) TSHRCA1CA2TP53ALDH1A1
SCHEMBL11002065 0.75 TSHR (0.52) TSHRCA1CA2TP53ALDH1A1

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-0439857-B1 A solvent-free process for the preparation of ((pyridinyloxy)phenoxy) propionate derivatives DOWELANCO (US) 1994-12-21 EP claimed