SCHEMBL9787693

SCHEMBL9787693

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.55
▸ PSEN1 P49768 3/20 0.54
▸ PSEN2 P49810 3/20 0.54
▸ APH1B Q8WW43 3/20 0.54
▸ NCSTN Q92542 3/20 0.54
▸ APH1A Q96BI3 3/20 0.54
▸ PSENEN Q9NZ42 3/20 0.54
▸ CAPN1 P07384 2/20 0.54
▸ SLC6A4 P31645 1/20 0.48
▸ MMP2 P08253 3/20 0.48
▸ MMP8 P22894 3/20 0.48
▸ ERAP2 Q6P179 2/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ IL1RN P18510 1/20 0.47
▸ MMP9 P14780 1/20 0.46
▸ MMP7 P09237 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL20168641 0.88 SLC6A4 (0.53) CAPN1SLC6A4MEN1KMT2A
SCHEMBL20168642 0.88 SLC6A4 (0.53) CAPN1SLC6A4MEN1KMT2A
SCHEMBL5806608 0.84 SLC6A4 (0.54) SLC6A4ERAP2TDP1MEN1ABL1
SCHEMBL9787678 0.84 CAPN1 (0.47) MMP1PSEN1PSEN2APH1BNCSTN
SCHEMBL26073693 0.84 SLC6A4 (0.53) SLC6A4TDP1MEN1ABL1LMNA
SCHEMBL26073698 0.82 KMT2A (0.61) SLC6A4TDP1MEN1KMT2A
SCHEMBL17243945 0.80 SLC6A4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20168527 0.79 TRPV1 (0.47) CAPN1SLC6A4TDP1
SCHEMBL20168529 0.79 TRPV1 (0.47) CAPN1SLC6A4TDP1
SCHEMBL20182251 0.79 TRPV1 (0.47) CAPN1SLC6A4TDP1

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-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 — — US disclosed
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