SCHEMBL9318355

SCHEMBL9318355

CCOC(c1ccc2c(c1)C(C)(C)CCC2(C)C)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.41
RXRB P28702 4/20 0.41
CYP26A1 O43174 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP26B1 Q9NR63 2/20 0.41
RARA P10276 5/20 0.39
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
HNF4A P41235 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXRG P48443 3/20 0.35
GLA P06280 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
SCHEMBL9483500 0.83 RXRA (0.42) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL9484572 0.83 POLB (0.52) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL9626066 0.77 RXRA (0.46) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL9506936 0.75 POLB (0.38) RXRAHNF4APOLBTDP1
SCHEMBL6144255 0.73 CYP26A1 (0.54) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL5665343 0.71 POLB (0.46) CYP3A4POLBGAATDP1GLA
SCHEMBL9379226 0.71 KMT2A (0.51) POLBGAA
SCHEMBL11249732 0.71 LMNA (0.51) POLBGAA
SCHEMBL8839324 0.69 RXRA (0.53) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL23446783 0.68 PPARG (0.47) RXRARXRBCYP26A1CYP3A4CYP26B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326900-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5194664-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed