SCHEMBL9822469

SCHEMBL9822469

CCNS(=O)(=O)c1ccc(C(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.56
RARB P10826 5/20 0.49
RARG P13631 5/20 0.49
RARA P10276 4/20 0.49
CYP26A1 O43174 7/20 0.43
CYP26B1 Q9NR63 5/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 1/20 0.42
RXRB P28702 1/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
SPPL2A Q8TCT8 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL9822546 0.82 RXRA (0.64) RXRARARBRARGRARACYP26A1
SCHEMBL9822401 0.81 RXRA (0.63) RXRARARBRARGRARACYP26A1
SCHEMBL9822558 0.79 RXRA (0.59) RXRARARBRARGRARACYP26A1
SCHEMBL9822510 0.78 RARB (0.61) RXRARARBRARGRARACYP26A1
SCHEMBL7545408 0.74 RARG (0.62) RXRARARBRARGRARACYP26A1
SCHEMBL7088904 0.74 RARG (0.62) RXRARARBRARGRARACYP26A1
SCHEMBL9822477 0.73 CYP26A1 (0.53) RXRARARBRARGRARACYP26A1
SCHEMBL9822473 0.73 CYP26A1 (0.53) RXRARARBRARGRARACYP26A1
SCHEMBL8458824 0.72 RXRA (1.00) RXRARARBRARGRARACYP26A1
SCHEMBL10355872 0.71 RXRA (0.54) RXRARARBRARGRARACYP26A1

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-0297995-B1 POLYCYCLIC AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND ANIMAL MEDICINE AND IN COSMETICS L'OREAL (FR) 1991-03-06 EP claimed