SCHEMBL8460876

SCHEMBL8460876

COC(C)(C)c1ccc(CNc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
PPARA Q07869 2/20 0.54
EPHX2 P34913 2/20 0.52
NR1H4 Q96RI1 2/20 0.52
FFAR1 O14842 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RORC P51449 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
NR4A2 P43354 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45

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
SCHEMBL8461643 0.85 CA1 (0.74) CA1CA2EPHX2NR1H4KMT2A
SCHEMBL103563 0.82 SRD5A2 (0.57) CA1CA2EPHX2NR1H4ALDH1A1
SCHEMBL4418236 0.82 CA1 (0.59) CA1CA2FFAR1ALDH1A1HDAC1
SCHEMBL7820479 0.80 FFAR1 (0.69) CA1CA2PPARAFFAR1ALDH1A1
SCHEMBL20236549 0.80 FFAR1 (0.69) CA1CA2PPARAEPHX2NR1H4
SCHEMBL11414793 0.77 FFAR1 (0.67) CA1CA2FFAR1ALDH1A1POLB
SCHEMBL11413950 0.77 ALDH1A1 (0.69) CA1CA2FFAR1ALDH1A1HDAC1
SCHEMBL16550429 0.77 FFAR1 (0.67) CA1CA2FFAR1ALDH1A1POLB
SCHEMBL2643145 0.77 CA1 (1.00) CA1CA2EPHX2NR1H4ALDH1A1
SCHEMBL8461966 0.76 CA1 (0.55) CA1CA2PPARAFFAR1ALDH1A1

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