Sugi Predict

Sugi Predict / Compounds / SCHEMBL29697039

SCHEMBL29697039

SCHEMBL29697039

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.58
▸ C5AR1 P21730 1/20 0.56
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ APLNR P35414 1/20 0.54
▸ CALCR P30988 5/20 0.54
▸ CXCR4 P61073 1/20 0.53
▸ F2 P00734 4/20 0.53
▸ CALCRL Q16602 1/20 0.53
▸ RAMP3 O60896 1/20 0.52

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
SCHEMBL30974445 0.93 CALCRL (0.55) EPHA2C5AR1MAPK8MAPK9MAPK10
SCHEMBL30974077 0.93 EPHA2 (0.57) EPHA2C5AR1APLNRCALCRF2
SCHEMBL30974054 0.92 CALCRL (0.56) EPHA2C5AR1MAPK8MAPK9MAPK10
SCHEMBL29637944 0.90 C5AR1 (0.65) C5AR1CALCRF2
SCHEMBL30973967 0.90 CTSL (0.57) EPHA2C5AR1APLNRF2
SCHEMBL29695646 0.90 NPY2R (0.63) EPHA2C5AR1CALCRF2
SCHEMBL30358141 0.90 APLNR (0.63) C5AR1MAPK8MAPK9MAPK10APLNR
SCHEMBL29575211 0.89 EPHA2 (0.55) EPHA2APLNRCXCR4
SCHEMBL31040681 0.89 EPHA2 (0.56) EPHA2APLNRCXCR4F2
SCHEMBL30526201 0.88 OPRM1 (0.57) EPHA2APLNRCXCR4F2

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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