SCHEMBL12521714

SCHEMBL12521714

C=C1NC(=O)SC1Cc1ccc(OCC2(C)CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.79
CYP3A4 P08684 2/20 0.79
MEN1 O00255 1/20 0.79
ALDH1A1 P00352 1/20 0.79
TP53 P04637 1/20 0.79
CYP1A2 P05177 1/20 0.79
MAPT P10636 1/20 0.79
ALOX15 P16050 1/20 0.79
TSHR P16473 1/20 0.79
KMT2A Q03164 1/20 0.79
HSD17B10 Q99714 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
PARP1 P09874 1/20 0.51
HRH3 Q9Y5N1 1/20 0.47
FFAR1 O14842 5/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 10/20 0.43
RXRA P19793 1/20 0.41
MPC2 O95563 2/20 0.40
CYP2C8 P10632 2/20 0.40

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
Ciglitazone SCHEMBL20125576 0.88 HPGD (1.00) HPGDCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL38185 0.88 HPGD (1.00) HPGDCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL20125581 0.88 HPGD (1.00) HPGDCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL21582134 0.87 HPGD (0.98) HPGDCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL3189397 0.87 HPGD (0.98) HPGDCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL8498957 0.84 HPGD (0.89) HPGDCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL6203612 0.81 HPGD (0.84) HPGDCYP3A4MEN1ALDH1A1TP53
SCHEMBL10281575 0.80 HPGD (0.69) HPGDCYP3A4MEN1ALDH1A1TP53
SCHEMBL14648456 0.79 HPGD (0.68) HPGDCYP3A4MEN1ALDH1A1TP53
SCHEMBL11091437 0.78 CYP3A4 (0.81) HPGDCYP3A4MEN1ALDH1A1TP53

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-2011091033-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2011-07-28 WO disclosed