SCHEMBL31311198

SCHEMBL31311198

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ HPGD P15428 4/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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 0.92 SMN1; SMN2 (0.44) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL31311025 0.88 LMNA (0.45) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL31311006 0.86 ALDH1A1 (0.52) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL31311112 0.84 MAPT (0.41) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL20764591 0.82 NPC1 (0.43) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL20787606 0.79 SMN1; SMN2 (0.43) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL20764511 0.78 ALDH1A1 (0.42) MAPTRAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL20787426 0.78 SMN1; SMN2 (0.42) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL20764535 0.77 ALDH1A1 (0.50) MAPTRAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL20764572 0.77 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1MEN1

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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