SCHEMBL9078563

SCHEMBL9078563

CCOC(=O)c1ccc(/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(C3(C)CCCCC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.41
RARB P10826 6/20 0.41
RARG P13631 5/20 0.41
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.38
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2B P41595 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL9078565 1.00 RARA (0.41) RARARARBRARGALDH1A1DRD2
SCHEMBL9077964 0.88 RARB (0.56) RARARARBRARGALDH1A1DRD2
SCHEMBL9079466 0.88 RARB (0.56) RARARARBRARGALDH1A1DRD2
SCHEMBL9078645 0.88 RARB (0.56) RARARARBRARGALDH1A1DRD2
SCHEMBL8766289 0.87 RARB (0.53) RARARARBRARGALDH1A1PTGDR
SCHEMBL8766282 0.87 RARB (0.53) RARARARBRARGALDH1A1PTGDR
SCHEMBL9077472 0.82 RARA (0.46) RARARARBRARGDRD2MEN1
SCHEMBL9077470 0.82 RARA (0.46) RARARARBRARGDRD2MEN1
SCHEMBL9077081 0.82 RARB (0.51) RARARARBRARGALDH1A1SMN1; SMN2
SCHEMBL9077085 0.82 RARB (0.51) RARARARBRARGALDH1A1SMN1; SMN2

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