SCHEMBL27996333

SCHEMBL27996333

CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.53
▸ ACE P12821 4/20 0.53
▸ CPA1 P15085 3/20 0.53
▸ ACE2 Q9BYF1 3/20 0.53
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ PSEN1 P49768 6/20 0.49
▸ PSEN2 P49810 6/20 0.49
▸ APH1B Q8WW43 6/20 0.49
▸ NCSTN Q92542 6/20 0.49
▸ APH1A Q96BI3 6/20 0.49
▸ PSENEN Q9NZ42 6/20 0.49
▸ GPR34 Q9UPC5 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ GSAP A4D1B5 1/20 0.48

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
SCHEMBL5967322 1.00 MME (0.53) MMEACECPA1ACE2CTSL
SCHEMBL7359790 0.91 PTPN1 (0.54) CTSLCTSBCTSSPSEN1PSEN2
SCHEMBL1460155 0.90 GPR34 (0.57) MMEACECTSLCTSBCTSS
SCHEMBL7366981 0.90 PSEN1 (0.44) MMEACECPA1ACE2PSEN1
SCHEMBL27563567 0.90 ALDH1A1 (0.57) —
SCHEMBL5967052 0.90 ALDH1A1 (0.57) —
SCHEMBL5967233 0.88 TACR1 (0.49) ACECTSLCTSBCTSSPSEN1
SCHEMBL7402957 0.87 GPR34 (0.54) MMEACECPA1ACE2GPR34
SCHEMBL5966881 0.86 KLK5 (0.48) ACECTSLCTSBCTSSPSEN1
SCHEMBL7371199 0.86 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-102439005-B Novel substituted indazole and aza-indazole derivatives as gamma secretase modulators JANSSEN PHARMACEUTICALS INC 2015-07-22 — — CN disclosed
CN-102325765-B Substituted bicyclic heterocyclic compounds as gamma-secretase modulators JANSSEN PHARMACEUTICALS INC 2014-12-24 — — CN disclosed
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