Sugi Predict

Sugi Predict / Compounds / SCHEMBL29695434

SCHEMBL29695434

SCHEMBL29695434

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 15/20 0.67
▸ PTH1R Q03431 1/20 0.61
▸ TFPI P10646 1/20 0.61
▸ GLP1R P43220 2/20 0.60
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ ECE1 P42892 1/20 0.60
▸ MUS81 Q96NY9 1/20 0.60
▸ NR3C1 P04150 1/20 0.60

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
SCHEMBL30974278 0.93 IL23R (0.62) IL23RTFPIGLP1RGCGRGIPR
SCHEMBL30567741 0.90 NR3C1 (0.72) IL23RGLP1RGCGRGIPRECE1
SCHEMBL30974604 0.89 GLP1R (0.63) IL23RTFPIGLP1RGCGRGIPR
SCHEMBL30339295 0.89 CCKBR (0.62) IL23RPTH1RGLP1RECE1MUS81
SCHEMBL30262192 0.89 GLP1R (0.67) IL23RPTH1RGLP1RGCGRGIPR
SCHEMBL29913332 0.89 GLP1R (0.74) IL23RPTH1RGLP1RECE1MUS81
SCHEMBL30216755 0.89 GLP1R (0.72) IL23RGLP1RGCGRGIPRECE1
SCHEMBL29695609 0.89 NR3C1 (0.69) IL23RPTH1RGLP1RGCGRGIPR
SCHEMBL31656511 0.89 IL23R (0.70) IL23RPTH1RGLP1RGCGRGIPR
SCHEMBL30433545 0.88 GLP1R (0.71) GLP1RGCGRGIPRECE1MUS81

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
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
Send feedback