SCHEMBL9850145

SCHEMBL9850145

CC1(C)CC(C)(C)c2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.46
RARB P10826 8/20 0.44
RARG P13631 7/20 0.44
RARA P10276 7/20 0.44
RXRA P19793 8/20 0.43
RXRB P28702 6/20 0.43
RXRG P48443 4/20 0.43
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 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
SCHEMBL8759232 0.90 RARB (0.47) RARBRARGRARARXRARXRB
SCHEMBL9850207 0.89 RARB (0.47) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5736766 0.88 CYP26B1 (0.48) SSTR5RARBRARARXRARXRB
SCHEMBL8458446 0.86 RARA (0.57) RARBRARGRARACYP3A4HSD17B10
SCHEMBL5736575 0.86 SSTR5 (0.50) SSTR5RARBRARGRARARXRA
SCHEMBL9850181 0.85 RXRA (0.46) RARBRARGRARARXRARXRB
SCHEMBL9850151 0.84 MAPT (0.48) RARBRARAHIF1A
SCHEMBL9850206 0.84 HIF1A (0.49) RARBRARAHIF1A
SCHEMBL5736859 0.81 SSTR5 (0.38) SSTR5RARBRARACYP26A1CYP26B1
Terephthalic Acid SCHEMBL9872879 0.81 SSTR5 (0.49) SSTR5RARBRARGRARARXRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed