SCHEMBL19502544

SCHEMBL19502544

CC(C)(O)Cc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CYP4F2 P78329 4/20 0.38
▸ CYP4A11 Q02928 4/20 0.38
▸ ATR Q13535 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ XIAP P98170 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL22941287 0.85 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL3868044 0.82 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20818033 0.82 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1760288 0.82 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL12272136 0.82 RXRA (0.55) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20116867 0.79 NQO2 (0.46) RXRARXRBRXRGATRLMNA
SCHEMBL4572292 0.78 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141884 0.78 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22262022 0.78 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22262021 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017182495-A1 INDAZOLE DERIVATIVES THAT DOWN-REGULATE THE ESTROGEN RECEPTOR AND POSSESS ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2017-10-26 — — WO disclosed
WO-2017182495-A1 INDAZOLE DERIVATIVES THAT DOWN-REGULATE THE ESTROGEN RECEPTOR AND POSSESS ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2017-10-26 — — WO disclosed
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