SCHEMBL9799953

SCHEMBL9799953

COc1cc(Cl)ccc1OCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
RAB9A P51151 2/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.56
PPARA Q07869 1/20 0.56
HPGD P15428 6/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 3/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
NLRP1 Q9C000 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL10515083 0.89 TDP1 (0.57) MAPTRAB9APTGDR2PPARAHPGD
SCHEMBL31104192 0.86 LMNA (0.64) MAPTRAB9APTGDR2NPSR1LMNA
SCHEMBL29364868 0.84 RAB9A (0.78) MAPTRAB9APTGDR2HPGDLMNA
SCHEMBL116448 0.84 RAB9A (0.78) MAPTRAB9APTGDR2HPGDLMNA
Mcpb SCHEMBL29150193 0.83 KDM4E (0.72) MAPTRAB9APTGDR2HPGDHTT
SCHEMBL503565 0.83 TSHR (0.74) MAPTRAB9APTGDR2PPARAHPGD
Mcpb SCHEMBL117879 0.83 KDM4E (0.72) MAPTRAB9APTGDR2HPGDHTT
Mcpb SCHEMBL29355091 0.83 KDM4E (0.72) MAPTRAB9APTGDR2HPGDHTT
SCHEMBL1332214 0.83 TDP1 (0.68) MAPTPTGDR2TSHRSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11002766 0.83 RAB9A (0.76) MAPTRAB9APTGDR2HPGDLMNA

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
US-5047518-A 1,6-anhydro-β-hexopyranose derivatives and their use as herbicides and plant growth regulators HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND (NZ) 1991-09-10 US disclosed
EP-0229034-A2 Hexopyranoses and compositions for agricultural use HER MAJESTY THE QUEEN in right of New Zealand Department of Scientific and Industrial Research (NZ) 1987-07-15 EP disclosed