SCHEMBL7793750

SCHEMBL7793750

CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(OC(=O)O)cc4)ccc3-c3ccccc3)c(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.47
RARG P13631 11/20 0.47
RARA P10276 11/20 0.47
RXRA P19793 7/20 0.47
EGFR P00533 1/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL2945444 0.92 RARB (0.53) RARBRARGRARARXRARXRB
SCHEMBL7792840 0.90 RARG (0.59) RARBRARGRARARXRARXRB
SCHEMBL7790156 0.88 RARG (0.50) RARBRARGRARARXRARXRB
SCHEMBL7792837 0.87 RARB (0.60) RARBRARGRARARXRARXRB
SCHEMBL7794287 0.87 RARB (0.60) RARBRARGRARARXRARXRB
SCHEMBL7784309 0.87 RARB (0.60) RARBRARGRARARXRARXRB
SCHEMBL7793745 0.86 RARB (0.46) RARBRARGRARARXRAEGFR
SCHEMBL2917040 0.86 RARB (0.65) RARBRARGRARARXRARXRB
SCHEMBL2944374 0.83 EGFR (0.52) RARBRARGRARARXRAEGFR
SCHEMBL2937025 0.83 RARG (0.58) RARBRARGRARARXRARXRB

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-0952974-B1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2001-11-21 EP claimed