SCHEMBL8101908

SCHEMBL8101908

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.72
RARG P13631 14/20 0.72
RARA P10276 13/20 0.72
RXRA P19793 8/20 0.68
CYP26A1 O43174 3/20 0.61
CYP3A4 P08684 2/20 0.61
RXRB P28702 5/20 0.51
RXRG P48443 3/20 0.51
CYP26B1 Q9NR63 2/20 0.51
SSTR5 P35346 1/20 0.50
KMT2A Q03164 1/20 0.47

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
SCHEMBL10565430 0.91 RARB (0.70) RARBRARGRARARXRACYP26A1
SCHEMBL27324962 0.88 RARB (0.66) RARBRARGRARARXRACYP26A1
SCHEMBL9143255 0.88 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL3456673 0.88 RARB (0.64) RARBRARGRARARXRACYP26A1
SCHEMBL10284325 0.86 RARB (0.60) RARBRARGRARARXRACYP26A1
SCHEMBL9186793 0.86 RARB (0.63) RARBRARGRARARXRACYP26A1
SCHEMBL9265392 0.85 RXRA (0.69) RARBRARGRARARXRACYP26A1
SCHEMBL10976941 0.85 RARB (0.76) RARBRARGRARARXRACYP26A1
SCHEMBL8461871 0.85 RARB (0.62) RARBRARGRARARXRACYP26A1
SCHEMBL10976930 0.85 RARB (0.76) RARBRARGRARARXRACYP26A1

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
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed
EP-0405028-B1 Thiochroman esters of phenols and terephthalates having retinoid-like activity ALLERGAN INC (US) 1995-10-11 EP disclosed
US-5015658-A Treatment of skin disorders such as psoriasis ALLERGAN, INC. (US) 1991-05-14 US disclosed
EP-0405028-A1 Thiochroman esters of phenols and terephthalates having retinoid-like activity ALLERGAN, INC (US) 1991-01-02 EP disclosed
US-4895868-A PSORIASIS, SKIN DISORDERS, ANTIARTHRITIC, WOUND HEALING, EYE DRYNESS ALLERGAN, INC. (US) 1990-01-23 US disclosed