SCHEMBL31311112

SCHEMBL31311112

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ STAT3 P40763 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ ATM Q13315 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ GAA P10253 4/20 0.34

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
SCHEMBL20764555 0.90 SMN1; SMN2 (0.44) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL31311063 0.90 SMN1; SMN2 (0.42) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL20764461 0.86 ALDH1A1 (0.39) MAPTPOLBADRB2ADRB1ADRB3
SCHEMBL31311198 0.84 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL31311141 0.84 STAT3 (0.36) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL20764507 0.84 STAT3 (0.45) MAPTRAB9ASMN1; SMN2NPC1STAT3
SCHEMBL20764591 0.81 NPC1 (0.43) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL20787423 0.79 STAT3 (0.43) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL20764511 0.79 ALDH1A1 (0.42) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL31311085 0.78 KDM4E (0.34) MAPTRAB9ASMN1; SMN2NPC1POLB

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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