SCHEMBL30646346

SCHEMBL30646346

CCCCOc1cccc(/C(CC)=C(\c2ccc(/C=C/C(=O)OCC)cc2)c2ccc3c(cnn3C3CCCCO3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 17/20 0.44
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL771216 1.00 ESR1 (0.44) ESR1RXRARXRBRXRGKDM4E
SCHEMBL792502 0.93 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL792501 0.93 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL792503 0.93 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL792504 0.93 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL806206 0.89 ESR1 (0.44) ESR1RXRARXRBRXRGLMNA
SCHEMBL30646350 0.89 ESR1 (0.47) ESR1RXRARXRBRXRGMGLL
SCHEMBL770771 0.89 ESR1 (0.47) ESR1RXRARXRBRXRGMGLL
SCHEMBL770766 0.89 ESR1 (0.55) ESR1RXRARXRBRXRGMGLL
SCHEMBL806447 0.89 ESR1 (0.43) ESR1RXRARXRBRXRGLMNA

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-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 — — EP disclosed
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