SCHEMBL9850206

SCHEMBL9850206

CC1(C)CC(C)(C)c2cc(C(=O)Oc3ccc(C(=O)OCc4ccccc4)cc3)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.49
LMNA P02545 2/20 0.43
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
COXFA4 O00483 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8759560 0.92 HIF1A (0.49) HIF1ALMNARARARARBKMT2A
SCHEMBL9850220 0.87 RARA (0.46) HIF1ALMNARARARARBKMT2A
SCHEMBL8458446 0.86 RARA (0.57) HIF1ALMNARARARARBKMT2A
SCHEMBL9850114 0.86 HIF1A (0.44) HIF1ALMNARARARARBKMT2A
SCHEMBL9850151 0.85 MAPT (0.48) HIF1ALMNARARARARBKMT2A
SCHEMBL9850145 0.84 SSTR5 (0.46) HIF1ARARARARB
SCHEMBL9850223 0.84 HIF1A (0.42) HIF1ALMNARARARARBKMT2A
SCHEMBL5736766 0.83 CYP26B1 (0.48) HIF1ARARARARB
SCHEMBL9850207 0.83 RARB (0.47) HIF1ALMNARARARARBKMT2A
SCHEMBL9551719 0.83 RARB (0.54) HIF1ALMNARARARARBKMT2A

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