SCHEMBL8642005

SCHEMBL8642005

CC1(C)CCC(O)c2cc(C(=O)OC(=O)c3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.40
RARB P10826 7/20 0.40
RARG P13631 6/20 0.40
RXRB P28702 7/20 0.39
RXRG P48443 6/20 0.39
RARA P10276 4/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TSHR P16473 2/20 0.36
CYP26A1 O43174 1/20 0.36

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
SCHEMBL8641120 0.92 LMNA (0.44) RXRARARBRARGRXRBRXRG
SCHEMBL8560364 0.83 CYP3A4 (0.38) RXRARARBRARGRXRBRXRG
SCHEMBL8559347 0.81 KDM4E (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL6292641 0.80 RXRA (0.52) RXRARARBRARGRXRBRXRG
SCHEMBL8558259 0.76 F2 (0.38) RXRARARBRARGRXRBRXRG
SCHEMBL6292635 0.76 RARA (0.62) RARBRARGRARAKMT2ATDP1
SCHEMBL7162481 0.74 RXRA (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL6292634 0.73 RXRA (0.45) RXRARARBRARGRXRBRXRG
SCHEMBL6294342 0.72 RARA (0.69) RXRARARBRARGRXRBRXRG
SCHEMBL6297133 0.72 RARA (0.48) RXRARARBRARGRXRBRXRG

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-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed