SCHEMBL9850252

SCHEMBL9850252

CC1(C)CCc2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
SSTR5 P35346 1/20 0.46
COXFA4 O00483 1/20 0.45
DAGLA Q9Y4D2 4/20 0.43
ABHD6 Q9BV23 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
HIF1A Q16665 1/20 0.40
GHSR Q92847 1/20 0.39
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
CTSB P07858 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL9850128 0.89 COXFA4 (0.47) RXRACOXFA4DAGLAABHD6TDP1
SCHEMBL9850219 0.86 RARA (0.52) RXRACOXFA4DAGLAABHD6TDP1
SCHEMBL30195971 0.86 RXRA (0.64) RXRASSTR5COXFA4DAGLAABHD6
SCHEMBL3880185 0.86 RXRA (0.64) RXRASSTR5COXFA4DAGLAABHD6
SCHEMBL9850218 0.84 MAPT (0.48) RXRACOXFA4DAGLAABHD6TDP1
SCHEMBL9850284 0.84 HIF1A (0.49) RXRACOXFA4DAGLAABHD6TDP1
SCHEMBL16742142 0.82 COXFA4 (0.53) RXRASSTR5COXFA4DAGLAABHD6
SCHEMBL5712102 0.80 RXRA (0.55) RXRASSTR5COXFA4TDP1RXRB
SCHEMBL6210404 0.79 COXFA4 (0.50) RXRASSTR5COXFA4TDP1MGAM
SCHEMBL31026771 0.79 COXFA4 (0.50) RXRASSTR5COXFA4TDP1MGAM

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