SCHEMBL9850306

SCHEMBL9850306

CCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)OCc3ccccc3)cc1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 3/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9850223 0.94 HIF1A (0.42) HIF1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL9850114 0.92 HIF1A (0.44) HIF1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL9850095 0.90 RARA (0.47) ALDH1A1TDP1TSHRL3MBTL1RXRA
SCHEMBL9850290 0.89 MAPT (0.41) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL9850227 0.88 RXRA (0.48) TSHRRXRARARARARB
SCHEMBL9850140 0.87 MAPT (0.41) ALDH1A1CYP3A4TSHRL3MBTL1RXRA
SCHEMBL9850220 0.86 RARA (0.46) HIF1AALDH1A1TDP1TSHRL3MBTL1
SCHEMBL9850216 0.83 RARA (0.49) ALDH1A1TDP1TSHRL3MBTL1RXRA
SCHEMBL9850094 0.83 MAPT (0.43) HIF1AALDH1A1TDP1TSHRMAPK1
SCHEMBL9850206 0.81 HIF1A (0.49) HIF1AALDH1A1TDP1TSHRL3MBTL1

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