Sugi Predict

Sugi Predict / Compounds / SCHEMBL10746970

SCHEMBL10746970

SCHEMBL10746970

CC(N)C(N)=O.CC(NC(=O)C(N)CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.59
▸ TFPI P10646 1/20 0.53
▸ BACE1 P56817 4/20 0.53
▸ CTSD P07339 1/20 0.49

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
SCHEMBL10747004 1.00 OPRL1 (0.59) OPRL1TFPIBACE1CTSD
SCHEMBL30662329 0.90 TFPI (0.61) OPRL1TFPIBACE1CTSD
SCHEMBL31480024 0.89 OPRL1 (0.63) OPRL1TFPIBACE1
SCHEMBL10747193 0.89 OPRL1 (0.55) OPRL1TFPI
SCHEMBL10747201 0.89 OPRL1 (0.55) OPRL1TFPI
SCHEMBL29727669 0.88 OPRL1 (0.49) OPRL1TFPIBACE1
SCHEMBL4399655 0.86 OPRL1 (0.54) OPRL1TFPI
SCHEMBL4399651 0.86 OPRL1 (0.54) OPRL1TFPI
SCHEMBL30588162 0.85 OPRL1 (0.59) OPRL1TFPI
SCHEMBL30900788 0.85 OPRD1 (0.60) OPRL1TFPI

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-4711952-A IMMUNOSTIMULATIVE, OR IMMUNOSUPPRESSORY AGENTS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOUVYROBU (CS) 1987-12-08 — — US disclosed
EP-0232435-A2 Serum thymic factor peptide analogs and a process for the preparation thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1987-08-19 — — EP disclosed
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