SCHEMBL4370171

SCHEMBL4370171

CC(C)(O)C#Cc1ccc2c(c1)C(C)(C)CC(=O)S2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
RARB P10826 6/20 0.34
RARG P13631 6/20 0.34
RARA P10276 5/20 0.34
CYP3A4 P08684 3/20 0.34
CYP26A1 O43174 2/20 0.34
MAP3K14 Q99558 8/20 0.34
CRABP2 P29373 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH2 P05091 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
KMT2A Q03164 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
SCHEMBL9028813 0.79 RARB (0.38) RARBRARGRARACYP3A4CYP26A1
SCHEMBL3300808 0.72 RARB (0.56) ALKRARBRARGRARACYP3A4
SCHEMBL995907 0.72 CYP3A4 (0.70) RARBRARGRARACYP3A4CYP26A1
SCHEMBL3765859 0.66 MEN1 (0.37) KMT2A
SCHEMBL12391039 0.64 ASIC3 (0.50) RARBRARGMAP3K14L3MBTL1KMT2A
SCHEMBL12617402 0.64 ALK (0.38) ALKMAP3K14BACE1KCNH2ALDH2
SCHEMBL5419989 0.64 RARB (0.36) ALKRARBRARGRARACYP3A4
SCHEMBL12479426 0.64 ALDH1A1 (0.57) MAP3K14
SCHEMBL14949230 0.63 PIKFYVE (0.45) MAP3K14L3MBTL1PIK3CDPIK3R1KMT2A
SCHEMBL13768258 0.63 TTBK1 (0.43) ALKCYP3A4MAP3K14L3MBTL1BACE1

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
WO-2015107542-A2 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2015-07-23 WO disclosed
WO-2009116075-A2 PROCESS FOR PREPARATION OF TAZAROTENE INDOCO REMEDIES LIMITED (IN) 2009-09-24 WO disclosed