SCHEMBL994761

SCHEMBL994761

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(O)(O)S3)nc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.74
RARB P10826 5/20 0.74
RARG P13631 5/20 0.74
CYP3A4 P08684 3/20 0.74
KMT2A Q03164 1/20 0.74
CYP26A1 O43174 2/20 0.55
CRABP2 P29373 1/20 0.36
GRM5 P41594 5/20 0.34
BACE1 P56817 4/20 0.33
BACE2 Q9Y5Z0 3/20 0.33
ACACB O00763 1/20 0.33
MMP13 P45452 1/20 0.32
PDE4B Q07343 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL8630933 0.92 RARA (0.75) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865753 0.91 RARA (0.74) RARARARBRARGCYP3A4KMT2A
SCHEMBL996873 0.86 CYP3A4 (0.70) RARARARBRARGCYP3A4KMT2A
Tazarotene SCHEMBL29512592 0.85 RARA (1.00) RARARARBRARGCYP3A4KMT2A
Tazarotene SCHEMBL29397163 0.85 RARA (1.00) RARARARBRARGCYP3A4KMT2A
Tazarotene SCHEMBL5747908 0.85 RARA (1.00) RARARARBRARGCYP3A4KMT2A
Tazarotene SCHEMBL3134 0.85 RARA (1.00) RARARARBRARGCYP3A4KMT2A
Tazarotene SCHEMBL6101987 0.84 RARA (0.98) RARARARBRARGCYP3A4KMT2A
SCHEMBL9334980 0.84 RARA (0.67) RARARARBRARGCYP3A4KMT2A
SCHEMBL9270697 0.83 CYP3A4 (0.77) RARARARBRARGCYP3A4KMT2A

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-2453746-A1 TAZAROTENE DERIVATIVES Stiefel Laboratories, Inc. (US) 2012-05-23 EP disclosed
WO-2011009023-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. (US) 2011-01-20 WO disclosed