SCHEMBL9850263

SCHEMBL9850263

CCCOC(=O)c1ccc(OC(=O)c2cc3c(cc2CC)OC(C)(C)CC3(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
STS P08842 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
ESR1 P03372 2/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
RXRA P19793 2/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL9850094 0.94 MAPT (0.43) MAPTKMT2ARARARARBSTS
SCHEMBL9850290 0.92 MAPT (0.41) MAPTKMT2ARARARARBSTS
SCHEMBL9850132 0.91 RARA (0.51) MAPTKMT2ARARARARBSTS
SCHEMBL9850216 0.87 RARA (0.49) MAPTKMT2ARARARARBSTS
SCHEMBL9850114 0.87 HIF1A (0.44) MAPTKMT2ARARARARBALDH1A1
SCHEMBL9850151 0.86 MAPT (0.48) MAPTKMT2ARARARARBSTS
SCHEMBL8760027 0.86 MAPT (0.48) MAPTKMT2ARARARARBSTS
SCHEMBL9850095 0.85 RARA (0.47) MAPTKMT2ARARARARBALDH1A1
SCHEMBL9850253 0.84 RXRA (0.49) MAPTKMT2ARARARARBSTS
SCHEMBL9850280 0.84 RXRA (0.41) MAPTKMT2ARARARARBALDH1A1

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