Sugi Predict

Sugi Predict / Compounds / SCHEMBL22384379

SCHEMBL22384379

SCHEMBL22384379

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PSMB10 P40306 5/20 0.31
▸ PSMB2 P49721 5/20 0.31
▸ KLKB1 P03952 2/20 0.30
▸ PSMB5 P28074 1/20 0.30
▸ ACACB O00763 1/20 0.30

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
SCHEMBL19807176 0.95 ALDH1A1 (0.38) DGAT1ALDH1A1LMNAMAPTPSMB10
SCHEMBL20427327 0.93 ACE (0.34) PSMB10PSMB2PSMB5
SCHEMBL22384340 0.92 ALDH1A1 (0.31) DGAT1ALDH1A1LMNAPSMB10PSMB2
SCHEMBL17834775 0.92 ENPP2 (0.34) DGAT1ALDH1A1LMNAMAPTKLKB1
SCHEMBL17834602 0.91 MME (0.36) DGAT1ALDH1A1LMNAMAPTPSMB2
SCHEMBL17968983 0.91 MME (0.36) DGAT1ALDH1A1LMNAMAPTPSMB2
SCHEMBL17834549 0.91 MME (0.36) DGAT1ALDH1A1LMNAMAPTPSMB2
SCHEMBL17834510 0.91 MME (0.36) DGAT1ALDH1A1LMNAMAPTPSMB2
SCHEMBL17968971 0.91 MME (0.36) DGAT1ALDH1A1LMNAMAPTPSMB2
SCHEMBL17825309 0.91 MME (0.36) DGAT1ALDH1A1LMNAMAPTPSMB2

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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
Send feedback