SCHEMBL11115154

SCHEMBL11115154

COc1c(OC(=O)O)nnn1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC16A3 O15427 6/20 0.42
▸ SLC16A1 P53985 6/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MCTS1 Q9ULC4 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL11117131 0.90 ALDH1A1 (0.48) GAAALDH1A1TSHRLMNATDP1
SCHEMBL11116391 0.85 GAA (0.51) GAAALDH1A1TSHRLMNATDP1
SCHEMBL10667959 0.84 GAA (0.50) GAAALDH1A1TSHRLMNATDP1
SCHEMBL11117769 0.82 ALDH1A1 (0.48) GAAALDH1A1TSHRLMNATDP1
Hydrochloric Acid SCHEMBL10667219 0.82 GAA (0.49) GAAALDH1A1TSHRLMNATDP1
SCHEMBL11114986 0.81 GAA (0.45) GAAALDH1A1TSHRLMNATDP1
SCHEMBL10667210 0.81 GAA (0.47) GAAALDH1A1TSHRLMNATDP1
SCHEMBL10664220 0.80 ALDH1A1 (0.46) GAAALDH1A1TSHRLMNATDP1
SCHEMBL10669971 0.77 ALDH1A1 (0.55) GAAALDH1A1TSHRLMNATDP1
SCHEMBL11118453 0.74 ALDH1A1 (0.50) GAAALDH1A1TSHRLMNATDP1

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-0114347-A2 Aralkyl-triazole compounds CIBA-GEIGY AG (CH) 1984-08-01 — — EP disclosed
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