SCHEMBL6850845

SCHEMBL6850845

COc1ccccc1C1=CC(Cl)(C(=O)O)CC(C(=O)O)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 6/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTT P42858 1/20 0.35
FABP3 P05413 1/20 0.34
GPR35 Q9HC97 2/20 0.34
CLCN2 P51788 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
AKR1C3 P42330 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
SCHEMBL6850842 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL28210348 0.70 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10TDP1SRD5A1
SCHEMBL27472036 0.69
SCHEMBL28046652 0.65 CA1 (0.36) KDM4EDHODHCA1CA2GPR35
SCHEMBL27775494 0.65 RARB (0.31)
SCHEMBL8765509 0.63 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL536179 0.62 HTT (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL8381593 0.62 CA12 (0.74) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9694336 0.61 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9244260 0.61 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP claimed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP claimed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed