SCHEMBL29295288

SCHEMBL29295288

COC(=O)[C@@]1(C)CCCC2(C)c3cc(OCc4ccccc4)ccc3CCC21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.68
▸ NR1H3 Q13133 12/20 0.68
▸ POLA1 P09884 4/20 0.62
▸ SOD1 P00441 1/20 0.61
▸ PTPN1 P18031 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL26172616 1.00 NR1H2 (0.68) NR1H2NR1H3POLA1SOD1PTPN1
SCHEMBL29493613 1.00 NR1H2 (0.68) NR1H2NR1H3POLA1SOD1PTPN1
SCHEMBL23962236 1.00 NR1H2 (0.68) NR1H2NR1H3POLA1SOD1PTPN1
SCHEMBL6309781 0.93 NR1H2 (0.69) NR1H2NR1H3POLA1SOD1PTPN1
SCHEMBL6309780 0.93 NR1H2 (0.69) NR1H2NR1H3POLA1SOD1PTPN1
SCHEMBL6312187 0.91 POLA1 (0.72) NR1H2NR1H3POLA1PTPN1CYP2C9
SCHEMBL6312190 0.91 POLA1 (0.72) NR1H2NR1H3POLA1PTPN1CYP2C9
SCHEMBL20561120 0.91 POLA1 (0.72) NR1H2NR1H3POLA1PTPN1CYP2C9
SCHEMBL6309935 0.91 POLA1 (0.72) NR1H2NR1H3POLA1PTPN1CYP2C9
SCHEMBL6309929 0.91 POLA1 (0.72) NR1H2NR1H3POLA1PTPN1CYP2C9

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
Send feedback