SCHEMBL8905375

SCHEMBL8905375

[CH]=Cc1cc2c(cc1CCCCCC)C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.40
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.32
NR1H3 Q13133 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
LPL P06858 1/20 0.31

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
SCHEMBL8906033 1.00 RXRA (0.40) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL7143696 0.85 RXRA (0.43) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL8906045 0.85 RXRA (0.40) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL8905381 0.85 RXRA (0.40) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL7143276 0.84 RXRA (0.43) RXRAPPARGNR1H3RARARARB
SCHEMBL8906009 0.81 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL7660747 0.77 RXRA (0.45) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL6679708 0.77 RXRA (0.42) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL7138144 0.77 RXRA (0.42) RXRAMEN1TP53CYP3A4ALOX5
SCHEMBL7133008 0.76 RXRA (0.43) RXRATP53CYP3A4RARARARB

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-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed