SCHEMBL7217366

SCHEMBL7217366

[CH]=Cc1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.55
RARB P10826 10/20 0.55
RARG P13631 10/20 0.55
RXRA P19793 2/20 0.55
CYP3A4 P08684 2/20 0.39
CYP26A1 O43174 1/20 0.39
KMT2A Q03164 1/20 0.36
SSTR5 P35346 1/20 0.35

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
SCHEMBL669879 0.84 RARB (0.59) RARARARBRARGRXRACYP3A4
SCHEMBL7714814 0.80 RARB (0.62) RARARARBRARGRXRACYP3A4
SCHEMBL19034092 0.79 RARA (0.51) RARARARBRARGRXRACYP3A4
SCHEMBL8293245 0.76 RARA (0.47) RARARARBRARGRXRACYP3A4
SCHEMBL10976941 0.75 RARB (0.76) RARARARBRARGRXRACYP3A4
SCHEMBL9142973 0.75 RARB (0.80) RARARARBRARGRXRACYP3A4
SCHEMBL10976930 0.75 RARB (0.76) RARARARBRARGRXRACYP3A4
SCHEMBL9188112 0.75 RARA (0.49) RARARARBRARGRXRACYP3A4
SCHEMBL13708653 0.75 RARA (0.46) RARARARBRARGRXRACYP3A4
SCHEMBL9054284 0.75 RARA (0.46) RARARARBRARGRXRACYP3A4

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-5455265-A For mammals; skin disorders, cancer, inflammatory disease, cardiovascular diorders, autoimmune diseases and others ALLERGAN, INC. (US) 1995-10-03 US disclosed