SCHEMBL31311085

SCHEMBL31311085

C=CCOc1c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)ccc(C(=O)Nc2ccc(NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)cc2F)c1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ STAT3 P40763 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC3 O15379 4/20 0.31
▸ HDAC1 Q13547 4/20 0.31
▸ HDAC2 Q92769 4/20 0.31
▸ NCOR2 Q9Y618 4/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30

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
SCHEMBL31311063 0.79 SMN1; SMN2 (0.42) KDM4ESTAT3MAPTNPC1RAB9A
SCHEMBL31311112 0.78 MAPT (0.41) KDM4ESTAT3MAPTNPC1RAB9A
SCHEMBL31311141 0.76 STAT3 (0.36) KDM4ESTAT3MAPTNPC1RAB9A
SCHEMBL20787606 0.70 SMN1; SMN2 (0.43) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20786871 0.70 NPC1 (0.39) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20764555 0.69 SMN1; SMN2 (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28376874 0.69 NPC1 (0.35) STAT3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28376877 0.69 NPC1 (0.35) STAT3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20786864 0.69 SMN1; SMN2 (0.45) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20787426 0.69 SMN1; SMN2 (0.42) KDM4EMAPTNPC1RAB9ASMN1; SMN2

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
Send feedback