SCHEMBL31337285

SCHEMBL31337285

O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(O)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 17/20 1.00
▸ ESR1 P03372 6/20 1.00
▸ ESR2 Q92731 3/20 1.00
▸ NPC1 O15118 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ NCOA2 Q15596 1/20 0.59
▸ NCOA1 Q15788 1/20 0.59
▸ NCOA3 Q9Y6Q9 1/20 0.59
▸ PTPN1 P18031 1/20 0.58
▸ PTPN11 Q06124 1/20 0.58
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL31337222 0.90 ESRRG (1.00) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764016 0.85 ESRRG (1.00) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764056 0.85 ESRRG (1.00) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764024 0.84 ESRRG (1.00) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20746251 0.84 ESRRG (1.00) ESRRGESR1ESR2NPC1RAB9A
SCHEMBL31337353 0.82 ESRRG (0.70) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764356 0.82 ESRRG (0.69) ESRRGESR1ESR2NPC1RAB9A
SCHEMBL20764037 0.81 ESRRG (0.72) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764006 0.81 ESRRG (0.71) ESRRGESR1ESR2NPC1PPARG
SCHEMBL20764078 0.81 ESRRG (0.79) ESRRGESR1ESR2NPC1PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 — — WO disclosed
Send feedback