SCHEMBL996873

SCHEMBL996873

CC1(C)CC(O)(O)Sc2ccc(C#Cc3ccc(C(=O)O)cn3)cc21

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.70
CYP26A1 O43174 2/20 0.70
RARB P10826 10/20 0.54
RARG P13631 10/20 0.54
RARA P10276 8/20 0.54
KMT2A Q03164 1/20 0.54
CRABP2 P29373 1/20 0.47
GRM5 P41594 7/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL8892530 0.91 CYP3A4 (0.71) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL994761 0.86 RARA (0.74) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29433140 0.82 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29466098 0.82 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL678713 0.82 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL995907 0.81 CYP3A4 (0.70) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL5084210 0.81 CYP3A4 (0.72) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL995437 0.80 CYP3A4 (0.68) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL8890751 0.78 CYP3A4 (0.59) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL8630933 0.77 RARA (0.75) CYP3A4CYP26A1RARBRARGRARA

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