SCHEMBL29295291

SCHEMBL29295291

CC12CCC[C@](C)(C(=O)O)C1CCc1ccc(OCc3ccccc3)cc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 4/20 0.72
▸ NR1H2 P55055 8/20 0.66
▸ NR1H3 Q13133 8/20 0.66
▸ PTPN1 P18031 1/20 0.59
▸ PDE4D Q08499 1/20 0.55
▸ KARS1 Q15046 2/20 0.53
▸ RXRA P19793 1/20 0.53
▸ CCNE1 P24864 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ RXRB P28702 1/20 0.53
▸ RXRG P48443 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ APEX1 P27695 1/20 0.53

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
SCHEMBL6312190 1.00 POLA1 (0.72) POLA1NR1H2NR1H3PTPN1PDE4D
SCHEMBL6309929 1.00 POLA1 (0.72) POLA1NR1H2NR1H3PTPN1PDE4D
SCHEMBL20561120 1.00 POLA1 (0.72) POLA1NR1H2NR1H3PTPN1PDE4D
SCHEMBL6309935 1.00 POLA1 (0.72) POLA1NR1H2NR1H3PTPN1PDE4D
SCHEMBL6312187 1.00 POLA1 (0.72) POLA1NR1H2NR1H3PTPN1PDE4D
SCHEMBL6309781 0.92 NR1H2 (0.69) POLA1NR1H2NR1H3PTPN1CYP2C9
SCHEMBL6312196 0.92 NR1H2 (0.64) POLA1NR1H2NR1H3PTPN1CYP2C9
SCHEMBL20561720 0.92 NR1H2 (0.64) POLA1NR1H2NR1H3PTPN1CYP2C9
SCHEMBL31678856 0.92 NR1H2 (0.64) POLA1NR1H2NR1H3PTPN1CYP2C9
SCHEMBL6309780 0.92 NR1H2 (0.69) POLA1NR1H2NR1H3PTPN1CYP2C9

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-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 — — EP disclosed
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