SCHEMBL6905677

SCHEMBL6905677

CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C=C4SC(=O)NC4=O)cc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.62
CYP26A1 O43174 5/20 0.62
RARB P10826 4/20 0.62
RARG P13631 4/20 0.62
KMT2A Q03164 3/20 0.62
CYP3A4 P08684 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
CYP26B1 Q9NR63 2/20 0.56
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TBXA2R P21731 1/20 0.53
BLVRB P30043 1/20 0.53
PIM1 P11309 1/20 0.52
HDAC4 P56524 5/20 0.47

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
SCHEMBL6905676 1.00 RARA (0.62) RARACYP26A1RARBRARGKMT2A
SCHEMBL501853 0.82 CYP26B1 (0.57) RARACYP26A1RARBRARGCYP3A4
SCHEMBL501852 0.82 CYP26B1 (0.57) RARACYP26A1RARBRARGCYP3A4
SCHEMBL13259701 0.81 RARA (0.74) RARACYP26A1RARBRARGKMT2A
SCHEMBL6929375 0.80 IGF1R (0.64) KMT2ACYP3A4MEN1PIM1HDAC4
SCHEMBL6929376 0.80 IGF1R (0.64) KMT2ACYP3A4MEN1PIM1HDAC4
SCHEMBL8459704 0.77 RARA (0.80) RARACYP26A1RARBRARGKMT2A
SCHEMBL9446527 0.77 CYP26A1 (0.80) RARACYP26A1RARBRARGKMT2A
SCHEMBL29355626 0.77 RARB (1.00) RARACYP26A1RARBRARGKMT2A
SCHEMBL726740 0.77 RARB (1.00) RARACYP26A1RARBRARGKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004045611-A1 USE OF A THIAZOLIDINEDIONE FOR THE REDUCTION OF SIDE EFFECTS OF CHEMOTHERAPY N-GENE RESEARCH LABORATORIES INC. (US) 2004-06-03 WO disclosed