SCHEMBL9850132

SCHEMBL9850132

CCCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)OC(C)(C)CC3(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.51
RARB P10826 3/20 0.51
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
STS P08842 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
ESR1 P03372 2/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.37
PRSS1 P07477 1/20 0.36

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
SCHEMBL8460713 0.93 RARA (0.58) RARARARBMAPTKMT2ASTS
SCHEMBL9850263 0.91 MAPT (0.45) RARARARBMAPTKMT2ASTS
SCHEMBL9850094 0.89 MAPT (0.43) RARARARBMAPTKMT2ASTS
SCHEMBL9850290 0.87 MAPT (0.41) RARARARBMAPTKMT2ASTS
SCHEMBL9850151 0.87 MAPT (0.48) RARARARBMAPTKMT2ASTS
SCHEMBL8760027 0.87 MAPT (0.48) RARARARBMAPTKMT2ASTS
SCHEMBL9850236 0.86 RARB (0.45) RARARARBMAPTKMT2AALDH1A1
SCHEMBL9850220 0.85 RARA (0.46) RARARARBMAPTKMT2AALDH1A1
SCHEMBL9850181 0.85 RXRA (0.46) RARARARBKMT2AESR1CHRM1
SCHEMBL9850216 0.84 RARA (0.49) RARARARBMAPTKMT2ASTS

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