Etarotene

Etarotene

SCHEMBL7794840

CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21.CCS(=O)(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.67
RARG P13631 20/20 0.67
RARA P10276 17/20 0.67
RXRA P19793 9/20 0.67
CYP26A1 O43174 2/20 0.67
CYP3A4 P08684 2/20 0.67
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
GMNN O75496 1/20 0.67
USP2 O75604 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
CYP2D6 P10635 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C19 P33261 1/20 0.67
THPO P40225 1/20 0.67
MTOR P42345 1/20 0.67

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
Etarotene SCHEMBL7794844 1.00 RARB (0.67) RARBRARGRARARXRACYP26A1
Etarotene SCHEMBL10494236 0.87 RARG (0.67) RARBRARGRARARXRACYP26A1
Etarotene SCHEMBL636235 0.87 RARG (0.67) RARBRARGRARARXRACYP26A1
Etarotene SCHEMBL7061143 0.87 RARG (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL2307487 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL29836848 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL345071 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL177444 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL11155545 0.81 RARG (0.69) RARBRARGRARARXRACYP26A1
SCHEMBL11155549 0.81 RARG (0.69) RARBRARGRARARXRACYP26A1

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-0781551-B1 Retinoid formulations in porous microspheres for reduced irritation and enhanced stability ENHANCED DERM TECHNOLOGIES INC (US) 2001-11-21 EP disclosed
EP-0781551-A1 Retinoid formulations in porous microspheres for reduced irritation and enhanced stability Advanced Polymer Systems, Inc. (US) 1997-07-02 EP disclosed