SCHEMBL14536885

SCHEMBL14536885

CCCn1c(C(=O)OCC)cc(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ ALDH1A1 P00352 9/20 0.51
▸ HTT P42858 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CNR2 P34972 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ TSHR P16473 3/20 0.46

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
SCHEMBL11186759 0.85 KDM4E (0.58) RAB9AKDM4ESMN1; SMN2LMNACRHBP
SCHEMBL14470971 0.83 ALDH1A1 (0.58) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL11617074 0.80 ALDH1A1 (0.47) RAB9AKDM4ESMN1; SMN2LMNACRHBP
SCHEMBL13742183 0.77 KDM4E (0.70) KDM4ESMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL38660347 0.75 KDM4E (0.86) KDM4ESMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11615933 0.73 RAB9A (0.43) RAB9AKDM4ESMN1; SMN2LMNACRHBP
SCHEMBL6752352 0.73 KDM4E (0.71) KDM4ESMN1; SMN2LMNACRHBPCRHR2
SCHEMBL8244872 0.73 KDM4E (0.67) KDM4ESMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL11621562 0.73 ALDH1A1 (0.48) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL16120076 0.73 CNR2 (0.85) KDM4ESMN1; SMN2LMNAALDH1A1L3MBTL1

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-1460070-B1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS CH (CH) 2007-05-16 — — EP disclosed
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