SCHEMBL31311063

SCHEMBL31311063

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ F2 P00734 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ STAT3 P40763 2/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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 0.90 MAPT (0.41) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL31311141 0.81 STAT3 (0.36) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20764555 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL31311085 0.79 KDM4E (0.34) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20787606 0.78 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20787426 0.77 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20764535 0.76 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20786871 0.76 NPC1 (0.39) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20786864 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL20764507 0.74 STAT3 (0.45) SMN1; SMN2NPC1RAB9AMAPTF2

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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