SCHEMBL7757741

SCHEMBL7757741

COC1(c2ccc(C(=O)O)c(C3(OC)CCC(c4cc5c(cc4C)C(C)(C)CCC5(C)C)C3)c2)CCC(c2ccc3c(c2)C(C)(C)CCC3(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.36
RARB P10826 5/20 0.36
RARA P10276 4/20 0.36
RXRA P19793 19/20 0.36
RXRB P28702 9/20 0.35
RXRG P48443 7/20 0.35
CYP26A1 O43174 3/20 0.35
CYP26B1 Q9NR63 3/20 0.35
MEN1 O00255 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 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
SCHEMBL7751874 0.88 RXRA (0.46) RARGRARBRARARXRARXRB
SCHEMBL7751877 0.84 CYP3A4 (0.38) RARGRARBRARARXRARXRB
SCHEMBL7757685 0.81 RXRA (0.52) RARGRARBRARARXRARXRB
SCHEMBL7790860 0.80 RXRA (0.52) RARGRARBRARARXRARXRB
SCHEMBL7757702 0.74 RXRA (0.45) RARGRARBRARARXRARXRB
SCHEMBL7786489 0.72 RXRA (0.56) RARGRARBRARARXRARXRB
SCHEMBL7754577 0.70 RXRA (0.49) RARGRARBRARARXRARXRB
SCHEMBL7751761 0.67 RARB (0.38) RARGRARBRARARXRARXRB
SCHEMBL7757942 0.65 RXRA (0.36) RARGRARBRARARXRARXRB
SCHEMBL7781814 0.65 RARB (0.43) RARGRARBRARARXRARXRB

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
EP-1077919-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
WO-1999058486-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed