SCHEMBL9079111

SCHEMBL9079111

COC(=O)c1ccc(/C=C(\C)c2ccc(C(C)(C)C)c(C34CC5CC(CC(C5)C3)C4)c2O[SiH](C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.42
RARG P13631 9/20 0.42
RARA P10276 7/20 0.42
HIF1A Q16665 3/20 0.37
EPHX2 P34913 3/20 0.37
MDH1 P40925 1/20 0.34
MDH2 P40926 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPAS1 Q99814 1/20 0.31
EPHX1 P07099 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL9079123 1.00 RARB (0.42) RARBRARGRARAHIF1AEPHX2
SCHEMBL8765826 0.92 RARG (0.48) RARBRARGRARAALDH1A1LMNA
SCHEMBL8765802 0.92 RARG (0.48) RARBRARGRARAALDH1A1LMNA
SCHEMBL9077434 0.80 KDM4E (0.34) RARBRARGRARAHIF1AEPHX2
SCHEMBL7687187 0.80 NPC1 (0.36) EPHX2
Hydrochloric Acid SCHEMBL9130755 0.80 RARA (0.33) RARBRARGRARAHIF1AEPHX2
SCHEMBL9158243 0.78 MEN1 (0.36) RARBRARGRARAHIF1AEPHX2
SCHEMBL3798383 0.75 RARB (0.41) RARBRARGRARAHIF1AEPHX2
SCHEMBL8766160 0.75 RARA (0.46) RARBRARGRARAEPHX2LMNA
SCHEMBL8766140 0.75 RARA (0.46) RARBRARGRARAEPHX2LMNA

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
US-5547983-A Aromatic and polycyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-08-20 US disclosed