SCHEMBL7224461

SCHEMBL7224461

CC1(C)CCSc2ccc(CC=Cc3ccccc3C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.47
RARB P10826 10/20 0.47
RARG P13631 10/20 0.47
RXRA P19793 7/20 0.45
SSTR5 P35346 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP26A1 O43174 1/20 0.40
KMT2A Q03164 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGER3 P43115 1/20 0.34
PTPN1 P18031 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
SCHEMBL6430446 0.85 RARB (0.64) RARARARBRARGRXRACYP26A1
SCHEMBL8703833 0.82 RARA (0.55) RARARARBRARGRXRASSTR5
SCHEMBL8328531 0.76 RARA (0.44) RARARARBRARGRXRASSTR5
SCHEMBL6017426 0.75 RARA (0.47) RARARARBRARGRXRASSTR5
SCHEMBL8704034 0.73 RARA (0.48) RARARARBRARGRXRASSTR5
SCHEMBL8703356 0.73 RARA (0.48) RARARARBRARGRXRASSTR5
SCHEMBL6146438 0.73 RARA (0.51) RARARARBRARGRXRASSTR5
SCHEMBL7224462 0.73 RARB (0.57) RARARARBRARGRXRASSTR5
SCHEMBL8690742 0.72 RARB (0.49) RARARARBRARGCYP3A4KMT2A
SCHEMBL9185721 0.71 RARA (0.53) RARARARBRARGRXRASSTR5

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