SCHEMBL9850128

SCHEMBL9850128

COC(=O)c1ccc(OC(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.47
POLB P06746 1/20 0.46
SRD5A1 P18405 1/20 0.45
SRD5A2 P31213 1/20 0.45
RXRA P19793 1/20 0.44
KMT2A Q03164 4/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACR P10323 2/20 0.42
HGFAC Q04756 2/20 0.42
HIF1A Q16665 1/20 0.42
PRSS1 P07477 1/20 0.41
GHSR Q92847 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL16742142 0.91 COXFA4 (0.53) COXFA4RXRAMGAMGAASI
SCHEMBL9850252 0.89 RXRA (0.53) COXFA4RXRAKMT2AMGAMGAA
SCHEMBL9850219 0.87 RARA (0.52) COXFA4SRD5A1SRD5A2RXRAKMT2A
SCHEMBL9850218 0.85 MAPT (0.48) COXFA4POLBRXRAKMT2ATDP1
SCHEMBL9850284 0.83 HIF1A (0.49) COXFA4SRD5A1SRD5A2RXRAKMT2A
SCHEMBL9850207 0.79 RARB (0.47) POLBKMT2AACRHGFACHIF1A
SCHEMBL15947259 0.78 MAPT (0.47) KMT2AGAATDP1MEN1MAPT
SCHEMBL6210404 0.78 COXFA4 (0.50) COXFA4SRD5A1SRD5A2RXRAKMT2A
SCHEMBL31026771 0.78 COXFA4 (0.50) COXFA4SRD5A1SRD5A2RXRAKMT2A
SCHEMBL6210627 0.76 RXRA (0.50) COXFA4POLBRXRAKMT2AMGAM

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