SCHEMBL8458039

SCHEMBL8458039

CC(C)(C)c1ccc(SCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.57
EPHX2 P34913 4/20 0.57
SRD5A2 P31213 1/20 0.57
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
NR4A2 P43354 1/20 0.56
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
RXRG P48443 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL2705369 0.80 CA12 (0.57) SRD5A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3761131 0.80 CA12 (0.57) SRD5A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL509527 0.80 HPGD (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3888099 0.80 HPGD (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27684871 0.80 EGFR (0.54) ALDH1A1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL8458613 0.80 NR1H4 (0.49) NR1H4EPHX2SRD5A2RXRARXRB
SCHEMBL36693 0.79 SRD5A2 (0.87) NR1H4EPHX2SRD5A2RXRARXRB
SCHEMBL4551075 0.79 MEN1 (0.64) SRD5A2NR4A2ALDH1A1MEN1KMT2A
SCHEMBL3889931 0.79 MAOB (0.54) RXRARXRBALDH1A1MEN1KMT2A
SCHEMBL13406684 0.78 TSHR (0.56) ALDH1A1MEN1KMT2ALMNAMAPT

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