SCHEMBL8461599

SCHEMBL8461599

Cc1ccc(C(C)(C)C)cc1NCc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.58
EPHX2 P34913 3/20 0.58
HDAC8 Q9BY41 3/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PPARG P37231 1/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 1/20 0.47
NR4A2 P43354 1/20 0.47
SRD5A2 P31213 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL8460674 0.82 NR1H4 (0.58) NR1H4EPHX2ALDH1A1POLBHPGD
SCHEMBL8461643 0.79 CA1 (0.74) NR1H4EPHX2HDAC8HDAC6CA1
SCHEMBL8461963 0.77 NR1H4 (0.60) NR1H4EPHX2ALDH1A1POLBHPGD
SCHEMBL25805526 0.74 DDR2 (0.60) NR1H4HDAC8HDAC1HDAC6NR4A2
SCHEMBL1239554 0.74 HDAC8 (0.43) NR1H4HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL22059607 0.74 EPHX2 (1.00) NR1H4EPHX2HDAC8HDAC6L3MBTL1
SCHEMBL6238405 0.73 POLB (0.64) NR1H4EPHX2HDAC8HDAC1HDAC6
SCHEMBL16221517 0.72 MEN1 (0.59) EPHX2HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL27476249 0.72 NR1H4 (0.47) NR1H4EPHX2ALDH1A1RXRARXRB
SCHEMBL17296531 0.71 CA1 (0.56) NR1H4EPHX2HDAC6ALDH1A1POLB

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