SCHEMBL21181528

SCHEMBL21181528

CC(=O)c1cc(C=O)cc(C(C)(c2ccc(O)c(C)c2)c2ccc(N=O)c(C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ ESRRG P62508 2/20 0.32
▸ AR P10275 2/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19842298 0.80 ESR1 (0.34) ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL21167288 0.74 ESR1 (0.55) ESR1ESR2ESRRGARBACE1
SCHEMBL18643615 0.74 ESR1 (0.55) ESR1ESR2ESRRGARBACE1
SCHEMBL22328762 0.71 CA5A (0.36) ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL18055765 0.71 ESR1 (0.55) ESR1ESR2ARKMT2A
SCHEMBL13963487 0.69 MAPT (0.40) KMT2ASMN1; SMN2
SCHEMBL20925183 0.68 ESR1 (0.48) ESR1ESR2ESRRGARBACE1
SCHEMBL18661747 0.68 ESR1 (0.44) ESR1ESR2ESRRGARKMT2A
SCHEMBL22171110 0.68 ESR1 (0.53) ESR1ESR2AR
SCHEMBL9298912 0.67 ESR1 (0.74) ESR1ESR2ARKMT2A

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
EP-3118684-B1 RESIST COMPOSITION AND METHOD FOR FORMING RESIST PATTERN MITSUBISHI GAS CHEMICAL CO (JP) 2019-07-24 — — EP disclosed
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