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Sugi Predict / Compounds / SCHEMBL29697076

SCHEMBL29697076

SCHEMBL29697076

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.62
▸ NMUR1 Q9HB89 5/20 0.62
▸ OPRM1 P35372 9/20 0.61
▸ OPRD1 P41143 5/20 0.61
▸ OPRK1 P41145 6/20 0.59
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ TFPI P10646 1/20 0.57

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
SCHEMBL30842181 0.93 NMUR2 (0.64) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL30416476 0.89 OPRD1 (0.69) NMUR2NMUR1OPRM1OPRD1OPRK1
SCHEMBL30842169 0.89 NMUR2 (0.65) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL3357771 0.89 NMUR2 (0.68) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL30842156 0.88 NMUR2 (0.65) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL29599996 0.88 APLNR (0.63) NMUR2NMUR1OPRM1OPRK1
SCHEMBL29995500 0.88 APLNR (0.63) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31325181 0.88 OPRD1 (0.71) NMUR2NMUR1OPRM1OPRD1
SCHEMBL34463649 0.88 NMUR2 (0.68) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL30605461 0.88 NMUR2 (0.61) NMUR2NMUR1OPRM1OPRD1

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
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