SCHEMBL31311025

SCHEMBL31311025

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HPGD P15428 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL31311198 0.88 MAPT (0.48) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL20786864 0.85 SMN1; SMN2 (0.45) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28373358 0.83 SMN1; SMN2 (0.37) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22099899 0.83 SMN1; SMN2 (0.37) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20786866 0.83 SMN1; SMN2 (0.44) LMNARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22099904 0.83 HTT (0.39) LMNACYP1A2CYP3A4RAB9AMAPT
SCHEMBL31311006 0.82 ALDH1A1 (0.52) LMNARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20787606 0.81 SMN1; SMN2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL22099917 0.80 MAPT (0.37) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20764555 0.80 SMN1; SMN2 (0.44) TSHRRAB9AMAPTSMN1; SMN2ALDH1A1

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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