SCHEMBL8460893

SCHEMBL8460893

CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)c(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.60
SERPINE1 P05121 1/20 0.57
PPARG P37231 5/20 0.54
NR1H4 Q96RI1 9/20 0.53
EPHX2 P34913 2/20 0.53
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GLA P06280 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
SRD5A2 P31213 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL29726741 0.83 NR1H4 (0.54) SERPINE1PPARGNR1H4EPHX2NPC1
SCHEMBL10762782 0.82 CYP2C9 (0.50) CYP2C9SERPINE1PPARGNR1H4EPHX2
SCHEMBL7223016 0.79 CYP2C9 (0.50) CYP2C9NR1H4EPHX2NPC1ALDH1A1
SCHEMBL6109346 0.79 SERPINE1 (0.77) SERPINE1PPARGNR1H4NPC1ALDH1A1
SCHEMBL555886 0.77 CYP2C9 (0.53) CYP2C9SERPINE1PPARGNR1H4NPC1
SCHEMBL12593904 0.76 NPC1 (0.68) CYP2C9SERPINE1PPARGNR1H4NPC1
SCHEMBL8461876 0.76 HDAC3 (0.63) NR1H4EPHX2NPC1RAB9ASRD5A2
SCHEMBL8458778 0.76 HDAC8 (0.78) PPARGNR1H4EPHX2NPC1ALDH1A1
SCHEMBL6107043 0.76 PPARG (0.64) SERPINE1PPARGNR1H4NPC1TDP1
SCHEMBL7297239 0.76 NR1H4 (0.81) NR1H4EPHX2NPC1RAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed