SCHEMBL19416499

SCHEMBL19416499

CCc1ccc(C(=O)COc2ccc(CC3S/C(=C/O)NC3=O)cc2)nc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.80
MPC2 O95563 2/20 0.80
CYP2C8 P10632 2/20 0.80
CYP2C9 P11712 2/20 0.80
CYP3A4 P08684 2/20 0.53
RXRA P19793 2/20 0.53
FFAR1 O14842 1/20 0.41
PPARA Q07869 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 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
Mitoglitazone SCHEMBL18541503 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL622605 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL18541482 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL18538169 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL2221702 0.88 PPARG (0.98) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL2221427 0.85 PPARG (0.92) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL11929116 0.80 PPARG (0.76) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14413449 0.80 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL2219522 0.80 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4
Mitoglitazone SCHEMBL2224095 0.80 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4

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
EP-2902026-B1 THIAZOLIDINEDIONE ANALOGUES FOR THE TREATMENT OF METABOLIC INFLAMMATION MEDIATED DISEASE METABOLIC SOLUTIONS DEV CO LLC (US) 2017-10-04 EP disclosed