SCHEMBL2336854

SCHEMBL2336854

COC(=O)c1ccc(OC2CCCCO2)c(C=CC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.49
PDE4B Q07343 2/20 0.41
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2313451 0.85 PTPN1 (0.44) PTPN1PDE4BALDH1A1NPC1RAB9A
SCHEMBL1584718 0.80 NOTUM (0.48) PTPN1PDE4BALDH1A1NPC1RAB9A
SCHEMBL2060107 0.78 PTPN1 (0.45) PTPN1PDE4BALDH1A1NPC1RAB9A
SCHEMBL29377172 0.78 PTPN1 (0.45) PTPN1PDE4BALDH1A1NPC1RAB9A
SCHEMBL2317094 0.77 PTPN1 (0.42) PTPN1PDE4BALDH1A1NPC1RAB9A
SCHEMBL19798736 0.75 ERN1 (0.43) PTPN1PDE4BALDH1A1NPC1RAB9A
SCHEMBL4020110 0.74 NPC1 (0.51) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL17215129 0.73 PDE4B (0.44) PTPN1PDE4BALDH1A1KMT2AMEN1
SCHEMBL25621200 0.72 HPGD (0.47) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2505507 0.72 PDE4B (0.39) PTPN1PDE4BALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358656-A2 SPIROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2011-08-24 EP disclosed
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed