SCHEMBL8521824

SCHEMBL8521824

CC(C)CN(CC(O)C(=O)O)C(=O)NC(C(=O)OCc1ccccc1)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.57
▸ ACE P12821 11/20 0.57
▸ ACACB O00763 2/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ACACA Q13085 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ GPR34 Q9UPC5 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
SCHEMBL8017403 1.00 MME (0.57) MMEACEACACBKMT2AATM
SCHEMBL27441338 0.96 MME (0.52) MMEACEACACBKMT2AATM
SCHEMBL8028601 0.92 MME (0.62) MMEACEACACBKMT2AACACA
SCHEMBL8028603 0.92 MME (0.62) MMEACEACACBKMT2AACACA
SCHEMBL8452097 0.92 MME (0.62) MMEACEACACBKMT2AACACA
SCHEMBL8454383 0.89 MME (0.62) MMEACEKMT2AATM
SCHEMBL8030967 0.89 MME (0.62) MMEACEKMT2AATM
SCHEMBL8452375 0.88 MME (0.55) MMEACEKMT2AATMPTGES
SCHEMBL9007772 0.88 MME (0.55) MMEACEKMT2AATMPTGES
SCHEMBL8026907 0.88 MME (0.55) MMEACEKMT2AATMPTGES

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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