SCHEMBL9150206

SCHEMBL9150206

COc1ccccc1Sc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 1/20 0.49
KMT2A Q03164 1/20 0.48
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
KDM4E B2RXH2 5/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45

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
SCHEMBL2112486 0.87 HTT (0.57) HTTCA12CA1CA2CA7
SCHEMBL6037796 0.81 POLB (0.63) HTTCA12CA1CA2CA7
SCHEMBL28080814 0.81 HTT (0.54) HTTCA12CA1CA2CA7
SCHEMBL6226360 0.80 HTT (0.56) HTTCA12CA1CA2CA7
SCHEMBL21624277 0.79 LCK (0.51) HTTCA12CA1CA2CA7
Hydrogen Peroxide SCHEMBL28640288 0.78 CA1 (0.55) HTTCA12CA1CA2CA7
SCHEMBL21624274 0.78 HTT (0.51) HTTCA12CA1CA2CA7
SCHEMBL3263369 0.78 HTT (0.54) HTTCA12CA1CA2CA7
SCHEMBL29365231 0.77 HTT (0.78) HTTCA12CA1CA2CA7
SCHEMBL3527 0.77 HTT (0.78) HTTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed