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SCHEMBL29742993

SCHEMBL29742993

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.67
▸ MAPK9 P45984 1/20 0.67
▸ MAPK10 P53779 1/20 0.67
▸ APLNR P35414 2/20 0.58
▸ KEAP1 Q14145 1/20 0.56
▸ CALCR P30988 5/20 0.54
▸ F2 P00734 4/20 0.54
▸ GLP1R P43220 4/20 0.53
▸ GCGR P47871 4/20 0.53
▸ GIPR P48546 4/20 0.53
▸ RAMP1 O60894 1/20 0.52
▸ RAMP2 O60895 1/20 0.52
▸ RAMP3 O60896 1/20 0.52
▸ CALCRL Q16602 1/20 0.52
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51

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
SCHEMBL30466120 0.88 CALCR (0.70) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31182953 0.86 CALCR (0.65) MAPK8MAPK9MAPK10APLNRKEAP1
SCHEMBL30607332 0.85 MAPK8 (0.64) MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30950134 0.85 KEAP1 (0.66) MAPK8MAPK9MAPK10KEAP1F2
SCHEMBL29679821 0.85 MAPK8 (0.63) MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL29679520 0.84 MAPK8 (0.65) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL31295732 0.84 MAPK8 (0.60) MAPK8MAPK9MAPK10APLNRKEAP1
SCHEMBL30444321 0.84 APLNR (0.63) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31182874 0.84 MAPK8 (0.66) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL29767745 0.84 CALCR (0.63) MAPK8MAPK9MAPK10APLNRCALCR

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
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
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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