SCHEMBL8668739

SCHEMBL8668739

CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)O)CC(C(=O)O)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.47
▸ SIGMAR1 Q99720 3/20 0.45
▸ TLR2 O60603 4/20 0.41
▸ TLR1 Q15399 4/20 0.41
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPFFR1 Q9GZQ6 1/20 0.38
▸ NPFFR2 Q9Y5X5 1/20 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
SCHEMBL8668227 0.91 SIGMAR1 (0.42) ACESIGMAR1TLR2TLR1KDM1A
SCHEMBL8671320 0.90 SIGMAR1 (0.41) ACESIGMAR1TLR2TLR1KMT2A
SCHEMBL8672121 0.89 SIGMAR1 (0.45) ACESIGMAR1TLR2TLR1KMT2A
SCHEMBL8666870 0.88 SIGMAR1 (0.43) ACESIGMAR1TLR2TLR1KDM1A
SCHEMBL8670628 0.88 SIGMAR1 (0.41) ACESIGMAR1TLR2TLR1KMT2A
SCHEMBL8668231 0.83 SIGMAR1 (0.41) ACESIGMAR1TLR2TLR1KMT2A
SCHEMBL8870576 0.81 HSD17B10 (0.47) ACESIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL8870503 0.81 HSD17B10 (0.47) ACESIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL8870406 0.81 ACE (0.53) ACE
SCHEMBL8668741 0.81 ACE (0.53) ACE

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
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