SCHEMBL30646348

SCHEMBL30646348

CCOC(=O)/C=C/c1ccc(/C(=C(/CC)B2OC(C)(C)C(C)(C)O2)c2ccc3c(cnn3C3CCCCO3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ ESR1 P03372 3/20 0.37
▸ MGLL Q99685 1/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL771229 1.00 RXRA (0.41) RXRARXRBRXRGESR1MGLL
SCHEMBL18720901 0.92 RXRA (0.41) RXRARXRBRXRGESR1MGLL
SCHEMBL793354 0.91 ESR1 (0.46) RXRARXRBRXRGESR1S1PR1
SCHEMBL793353 0.91 ESR1 (0.46) RXRARXRBRXRGESR1S1PR1
SCHEMBL793355 0.91 ESR1 (0.46) RXRARXRBRXRGESR1S1PR1
SCHEMBL18720914 0.90 RXRA (0.44) RXRARXRBRXRGESR1CYP4F2
SCHEMBL18720908 0.88 RXRA (0.45) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL22656814 0.86 RXRA (0.47) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL22656810 0.86 RXRA (0.47) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL29536400 0.86 RXRA (0.47) RXRARXRBRXRGESR1ALDH1A1

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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