SCHEMBL31311141

SCHEMBL31311141

C=CCOc1c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)ccc(NC(=O)c2ccc(N)cn2)c1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.36
▸ MAPT P10636 7/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ BAK1 Q16611 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL31311112 0.84 MAPT (0.41) STAT3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31311063 0.81 SMN1; SMN2 (0.42) STAT3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31311025 0.78 LMNA (0.45) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20786871 0.77 NPC1 (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20786864 0.77 SMN1; SMN2 (0.45) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20787606 0.76 SMN1; SMN2 (0.43) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL31311085 0.76 KDM4E (0.34) STAT3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20786866 0.75 SMN1; SMN2 (0.44) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20764555 0.75 SMN1; SMN2 (0.44) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL20787426 0.74 SMN1; SMN2 (0.42) MAPTNPC1RAB9ASMN1; SMN2POLB

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
EP-4731306-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2026-04-29 — — EP disclosed
WO-2025003147-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-01-02 — — WO disclosed
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