Sugi Predict

Sugi Predict / Compounds / SCHEMBL30436788

SCHEMBL30436788

SCHEMBL30436788

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ OPRL1 P41146 4/20 0.56
▸ CALCR P30988 3/20 0.55
▸ BACE1 P56817 1/20 0.54
▸ GLP1R P43220 3/20 0.54
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ CCKBR P32239 1/20 0.54
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53
▸ VIPR1 P32241 1/20 0.53

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
SCHEMBL29609357 0.92 TFPI (0.64) TFPICALCRBACE1GLP1RCCKBR
SCHEMBL31182935 0.91 TFPI (0.62) TFPICALCRBACE1GLP1RCCKBR
SCHEMBL31182918 0.90 TFPI (0.64) TFPICALCRBACE1GLP1ROPRM1
SCHEMBL30495786 0.89 TFPI (0.58) TFPICALCRBACE1GLP1RCCKBR
SCHEMBL11589163 0.89 OPRL1 (0.56) TFPIOPRL1GLP1ROPRM1OPRD1
SCHEMBL30495710 0.89 IL23R (0.56) TFPICALCRBACE1GLP1ROPRM1
SCHEMBL30495662 0.88 TFPI (0.69) TFPIGLP1RCCKBRGCGRGIPR
SCHEMBL30644877 0.88 BACE1 (0.60) OPRL1CALCRBACE1GLP1RCCKBR
SCHEMBL31182821 0.87 BACE1 (0.57) TFPICALCRBACE1GLP1ROPRM1
SCHEMBL31182838 0.87 TFPI (0.60) TFPICALCRBACE1GLP1RCCKBR

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-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
Send feedback