SCHEMBL13090477

SCHEMBL13090477

CC(C)Oc1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.64
ENPP1 P22413 7/20 0.64
PTPN1 P18031 1/20 0.62
ENPP2 Q13822 6/20 0.61
STS P08842 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
GLA P06280 1/20 0.56
ELOVL6 Q9H5J4 1/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL712394 0.85 ELOVL6 (0.52) ENPP3ENPP1PTPN1ENPP2STS
SCHEMBL710497 0.84 TP53 (0.54) ENPP3ENPP1PTPN1ENPP2STS
SCHEMBL3188745 0.83 ENPP3 (0.69) ENPP3ENPP1PTPN1ENPP2STS
SCHEMBL125695 0.82 PTPN1 (0.89) ENPP3ENPP1PTPN1ENPP2STS
SCHEMBL28656982 0.82 PTPN1 (0.89) ENPP3ENPP1PTPN1ENPP2STS
SCHEMBL5205624 0.81 NPC1 (0.69) ENPP3ENPP1PTPN1ENPP2STS
SCHEMBL13090478 0.81 ABL1 (0.64) ENPP3ENPP1SMN1; SMN2NPC1RAB9A
SCHEMBL25647118 0.80 PTPN1 (0.68) ENPP3ENPP1PTPN1SMN1; SMN2HPGD
SCHEMBL12545585 0.80 PTPN1 (0.68) ENPP3ENPP1PTPN1SMN1; SMN2HPGD
SCHEMBL13973400 0.79 ENPP3 (0.64) ENPP3ENPP1PTPN1ENPP2STS

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-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed