SCHEMBL29634121

SCHEMBL29634121

CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ OPRD1 P41143 6/20 0.40
▸ OPRM1 P35372 5/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ EGFR P00533 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ GSTK1 Q9Y2Q3 1/20 0.37
▸ ECE1 P42892 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL30099614 0.94 OPRD1 (0.41) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL29692448 0.92 REN (0.39) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL29789591 0.91 CTSC (0.43) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL29351243 0.91 ALDH1A1 (0.44) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL13401853 0.91 ALDH1A1 (0.44) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL30099537 0.87 CTSB (0.42) —
SCHEMBL29364551 0.87 CTSC (0.42) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL29566998 0.85 ALDH1A1 (0.47) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL11656501 0.85 ALDH1A1 (0.50) CTSCALDH1A1LMNAMAPTPTGS2
SCHEMBL11656504 0.85 ALDH1A1 (0.50) CTSCALDH1A1LMNAMAPTPTGS2

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
WO-2022115488-A1 IMMUNOGENIC NANOVESICLES FOR CANCER IMMUNOTHERAPY ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-02 — — WO claimed
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