SCHEMBL7224464

SCHEMBL7224464

CC=Cc1c(C(=O)O)cccc1-c1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.45
RARG P13631 15/20 0.45
RARA P10276 15/20 0.45
RXRA P19793 5/20 0.45
CYP3A4 P08684 2/20 0.40
CYP26A1 O43174 1/20 0.40
SSTR5 P35346 1/20 0.34
CXCR5 P32302 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27332310 0.78 RARB (0.46) RARBRARGRARARXRACYP3A4
SCHEMBL6428471 0.77 RARB (0.38) RARBRARGRARARXRACXCR5
SCHEMBL9187716 0.76 RARG (0.56) RARBRARGRARARXRACYP3A4
SCHEMBL27332311 0.76 RARB (0.46) RARBRARGRARARXRACYP3A4
SCHEMBL8322245 0.73 RARB (0.52) RARBRARGRARACYP3A4KMT2A
SCHEMBL9188789 0.73 RARB (0.47) RARBRARGRARARXRACYP3A4
SCHEMBL7224462 0.73 RARB (0.57) RARBRARGRARARXRACYP3A4
SCHEMBL27324962 0.72 RARB (0.66) RARBRARGRARARXRACYP3A4
SCHEMBL10567353 0.71 RARB (0.47) RARBRARGRARARXRACYP3A4
SCHEMBL2910869 0.70 RARB (0.59) RARBRARGRARARXRACYP3A4

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 6 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
EP-0682516-A1 THERAPEUTIC USE OF COMPOUNDS HAVING SELECTIVE AGONIST-LIKE ACTIVITY ON RXR RETINOID RECEPTORS ALLERGAN, INC. (US) 1995-11-22 EP disclosed
US-5455265-A For mammals; skin disorders, cancer, inflammatory disease, cardiovascular diorders, autoimmune diseases and others ALLERGAN, INC. (US) 1995-10-03 US disclosed
WO-1994017796-A1 THERAPEUTIC USE OF COMPOUNDS HAVING SELECTIVE AGONIST-LIKE ACTIVITY ON RXR RETINOID RECEPTORS ALLERGAN, INC. (US) 1994-08-18 WO disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed