Sugi Predict

Sugi Predict / Compounds / SCHEMBL29697160

SCHEMBL29697160

SCHEMBL29697160

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.61
▸ APLNR P35414 1/20 0.57
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ KEAP1 Q14145 3/20 0.53
▸ CALCR P30988 8/20 0.52
▸ F2 P00734 3/20 0.51
▸ RAMP3 O60896 4/20 0.50
▸ CXCR4 P61073 1/20 0.50

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
SCHEMBL29849478 0.88 MC4R (0.60) MC4RCALCRRAMP3
SCHEMBL30272472 0.87 APLNR (0.57) MC4RAPLNRMAPK8MAPK9MAPK10
SCHEMBL31696781 0.87 CALCR (0.65) MC4RAPLNRCALCRRAMP3
SCHEMBL30433512 0.86 APLNR (0.61) MC4RAPLNRMAPK8MAPK9MAPK10
SCHEMBL30607329 0.86 F2 (0.68) APLNRCALCRF2RAMP3
SCHEMBL29675066 0.86 MC4R (0.56) MC4RAPLNRMAPK8MAPK9MAPK10
SCHEMBL30423484 0.85 GLP1R (0.60) KEAP1CALCRRAMP3
SCHEMBL29662252 0.85 C5AR1 (0.66) MC4RAPLNRKEAP1CALCRF2
SCHEMBL30455558 0.85 APLNR (0.62) MC4RAPLNRKEAP1CALCRRAMP3
SCHEMBL30518966 0.85 APLNR (0.58) MC4RAPLNRMAPK8MAPK9MAPK10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851664-B2 Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby Oakbio, Inc. (US) 2023-12-26 — — US disclosed
EP-4267551-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio Inc. (US) 2023-11-01 — — EP disclosed
WO-2022140493-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio, Inc. (US) 2022-06-30 — — WO disclosed
US-20220204979-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY ARCOLOGY INC. (DBA BIOSPHERE) 2022-06-30 — — US disclosed
Send feedback