SCHEMBL6959636

SCHEMBL6959636

CC(C)COc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.52
FFAR1 O14842 4/20 0.48
PPARA Q07869 3/20 0.47
CYP3A4 P08684 2/20 0.47
RXRA P19793 1/20 0.47
MPC2 O95563 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6964931 0.87 PPARG (0.56) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6964001 0.84 PPARG (0.56) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL377641 0.83 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL29602962 0.83 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL6958784 0.82 FFAR1 (0.58) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6963885 0.82 FFAR1 (0.53) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6966643 0.81 FFAR1 (0.52) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6954874 0.81 PPARG (0.63) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL16379095 0.81 PPARG (0.64) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6960528 0.81 FFAR1 (0.49) PPARGFFAR1PPARACYP3A4RXRA

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-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed