SCHEMBL9850290

SCHEMBL9850290

CCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)OCCC)cc1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
RXRA P19793 1/20 0.38
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ESR1 P03372 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9850095 0.94 RARA (0.47) MAPTKMT2ARARARARBMEN1
SCHEMBL9850094 0.94 MAPT (0.43) MAPTKMT2ARARARARBMEN1
SCHEMBL9850263 0.92 MAPT (0.45) MAPTKMT2ARARARARBMEN1
SCHEMBL9850140 0.91 MAPT (0.41) MAPTKMT2ARARARARBALDH1A1
SCHEMBL9850227 0.90 RXRA (0.48) RARARARBRXRATSHR
SCHEMBL9850306 0.89 HIF1A (0.41) MAPTKMT2ARARARARBMEN1
SCHEMBL9850216 0.87 RARA (0.49) MAPTKMT2ARARARARBMEN1
SCHEMBL9850132 0.87 RARA (0.51) MAPTKMT2ARARARARBMEN1
SCHEMBL9850172 0.86 RXRA (0.46) MAPTKMT2ARARARARBMEN1
SCHEMBL9850280 0.84 RXRA (0.41) MAPTKMT2ARARARARBMEN1

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 1 patent. 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