SCHEMBL9850236

SCHEMBL9850236

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
RARA P10276 3/20 0.45
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.41
CYP3A4 P08684 3/20 0.40
RARG P13631 3/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
CYP26A1 O43174 2/20 0.38
ACR P10323 2/20 0.38
HGFAC Q04756 1/20 0.38
HIF1A Q16665 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL9850181 0.90 RXRA (0.46) RARBRARAKMT2ARARGMEN1
SCHEMBL8460713 0.89 RARA (0.58) RARBRARAKMT2AALDH1A1CYP3A4
SCHEMBL9850132 0.86 RARA (0.51) RARBRARAKMT2AALDH1A1CYP3A4
SCHEMBL9850280 0.86 RXRA (0.41) RARBRARAKMT2AALDH1A1POLB
SCHEMBL9850207 0.85 RARB (0.47) RARBRARAKMT2APOLBCYP3A4
SCHEMBL9850220 0.84 RARA (0.46) RARBRARAKMT2AALDH1A1MAPT
SCHEMBL9850140 0.83 MAPT (0.41) RARBRARAKMT2AALDH1A1POLB
SCHEMBL9850125 0.82 RARB (0.55) RARBRARAKMT2AALDH1A1POLB
SCHEMBL8707992 0.81 POLB (0.40) RARBKMT2AALDH1A1POLBCYP3A4
SCHEMBL9850216 0.79 RARA (0.49) RARBRARAKMT2AALDH1A1RARG

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