SCHEMBL6645178

SCHEMBL6645178

CC(C)(C)OC(=O)NCCC1CCC(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
EPHX1 P07099 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
BTK Q06187 1/20 0.47
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
LMNA P02545 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.38

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
SCHEMBL23138701 1.00 KMT2A (0.58) KMT2AEPHX1SMN1; SMN2BTKMEN1
SCHEMBL6014890 0.93 BTK (0.54) KMT2AEPHX1SMN1; SMN2BTKMEN1
SCHEMBL12648114 0.90 EPHX1 (0.55) KMT2AEPHX1MEN1GAATDP1
SCHEMBL353639 0.86 KMT2A (0.71) KMT2ASMN1; SMN2BTKCTSSCTSK
SCHEMBL353652 0.86 KMT2A (0.71) KMT2ASMN1; SMN2BTKCTSSCTSK
SCHEMBL5006161 0.86 KMT2A (0.71) KMT2ASMN1; SMN2BTKCTSSCTSK
SCHEMBL7816567 0.84 EPHX1 (0.48) KMT2AEPHX1BTKMEN1GAA
SCHEMBL4653502 0.84 KMT2A (0.69) KMT2ASMN1; SMN2BTKCTSSCTSK
SCHEMBL4653500 0.84 KMT2A (0.69) KMT2ASMN1; SMN2BTKCTSSCTSK
SCHEMBL5030185 0.84 TDP1 (0.51) KMT2AEPHX1MEN1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299362-A4 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-11-03 EP disclosed
EP-1299362-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2003-04-09 EP disclosed
WO-2002006245-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMARCEUTICAL CORPORATION (US) 2002-01-24 WO disclosed