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Sugi Predict / Compounds / SCHEMBL31276162

SCHEMBL31276162

SCHEMBL31276162

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.61
▸ RAMP3 O60896 1/20 0.59
▸ CALCR P30988 1/20 0.59
▸ KDM1A O60341 3/20 0.58
▸ CXCR4 P61073 1/20 0.56
▸ TFPI P10646 1/20 0.56
▸ OPRM1 P35372 3/20 0.55
▸ OPRK1 P41145 3/20 0.55
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55

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
SCHEMBL31182547 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30437293 0.89 NPY2R (0.63) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30605455 0.88 MAPK8 (0.61) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL14479365 0.87 KDM1A (0.61) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182596 0.87 NPY2R (0.65) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29903316 0.87 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31681688 0.87 EPHA2 (0.58) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL14479433 0.87 OPRM1 (0.64) KDM1ATFPIOPRM1OPRK1
SCHEMBL30901005 0.87 KDM1A (0.59) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30567690 0.86 NPY2R (0.62) MAPK8MAPK9MAPK10NPY2RNPY4R

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-2025015401-A1 A METHOD OF IDENTIFYING HPV BIOMARKERS, A METHOD OF PREPARING A LATERAL FLOW DEVICE, SAID DEVICE AND A DIAGNOSTIC KIT UNIVERSIDADE ESTADUAL DE CAMPINAS (BR) 2025-01-23 — — WO disclosed
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