SCHEMBL7224462

SCHEMBL7224462

CC=C(c1ccc2c(c1)C(C)(C)CCS2)c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.57
RARG P13631 14/20 0.57
RARA P10276 13/20 0.57
RXRA P19793 10/20 0.55
RXRB P28702 6/20 0.49
RXRG P48443 4/20 0.49
CYP3A4 P08684 2/20 0.47
CYP26A1 O43174 1/20 0.47
SSTR5 P35346 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8703828 0.86 RARA (0.57) RARBRARGRARARXRARXRB
SCHEMBL8703841 0.86 RARA (0.57) RARBRARGRARARXRARXRB
SCHEMBL8704769 0.83 RXRA (0.71) RARBRARGRARARXRARXRB
SCHEMBL8704037 0.82 RARA (0.51) RARBRARGRARARXRARXRB
SCHEMBL8101908 0.81 RARB (0.72) RARBRARGRARARXRARXRB
SCHEMBL9185721 0.80 RARA (0.53) RARBRARGRARARXRACYP3A4
Terephthalic Acid SCHEMBL27259373 0.77 RARB (0.60) RARBRARGRARARXRARXRB
SCHEMBL9186843 0.77 RARA (0.47) RARBRARGRARARXRARXRB
SCHEMBL10565430 0.76 RARB (0.70) RARBRARGRARARXRARXRB
SCHEMBL3456673 0.76 RARB (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627652-B1 Treatment of diseases or conditions of the type which are normally treated with retinoid-like compounds is disclosed, with pharmaceutical compositions containing an active compound which is a selective agonist of the RXR retinoid ALLERGAN, INC. 2003-09-30 US disclosed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed