SCHEMBL20439334

SCHEMBL20439334

Brc1ccc2c(cnn2C2CCCCO2)c1OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP4F2 P78329 5/20 0.34
▸ CYP4A11 Q02928 5/20 0.34
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ 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
SCHEMBL1141407 0.90 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL15266343 0.86 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL5413171 0.84 RXRA (0.40) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1142105 0.83 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1141704 0.83 RXRA (0.39) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1141337 0.82 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1141249 0.82 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL5418094 0.82 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL10263333 0.81 RXRA (0.40) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1141755 0.80 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11

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-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 — — WO disclosed
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