SCHEMBL11248532

SCHEMBL11248532

CCOC(=O)CC(C(C)=O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
BRD4 O60885 1/20 0.39
EPHX2 P34913 1/20 0.39
CXCR3 P49682 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL11250768 0.92 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTTSHRHTT
SCHEMBL12102197 0.90 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTTSHRHTT
SCHEMBL5095509 0.85 KMT2A (0.43) MAPTALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL11254253 0.85 KMT2A (0.50) SMN1; SMN2MAPTTSHRALDH1A1KMT2A
SCHEMBL1360295 0.85 L3MBTL1 (0.43) SMN1; SMN2RAB9AMAPTHTTALDH1A1
SCHEMBL11730496 0.82 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMAPTTSHRHTT
SCHEMBL13116544 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTTSHRHTT
SCHEMBL11867222 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTTSHRHTT
SCHEMBL8512767 0.80 MMP2 (0.46) TSHRALDH1A1KMT2ALMNACYP1A2
SCHEMBL2884408 0.78 L3MBTL1 (0.50) SMN1; SMN2RAB9AMAPTTSHRHTT

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-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed