SCHEMBL8458561

SCHEMBL8458561

CC(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MITF O75030 1/20 0.53
CYP26A1 O43174 2/20 0.52
CYP3A4 P08684 2/20 0.52
RARA P10276 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
RARB P10826 1/20 0.52
CYP2C9 P11712 1/20 0.52
RARG P13631 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
FFAR1 O14842 1/20 0.51
GAA P10253 3/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
TOP1 P11387 1/20 0.47

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
SCHEMBL8458858 0.91 HTT (0.57) MEN1KMT2AMITFCYP26A1CYP3A4
SCHEMBL13816279 0.89 LMNA (0.59) KMT2AALDH1A1GAAHTTLMNA
SCHEMBL9944064 0.84 PKM (0.54) MEN1KMT2AMITFCYP26A1CYP3A4
SCHEMBL13816269 0.81 ACE2 (0.61) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL7822088 0.79 MEN1 (0.58) MEN1KMT2AMITFCYP26A1CYP3A4
SCHEMBL26915306 0.79 LMNA (0.68) MEN1KMT2AMITFALDH1A1FFAR1
SCHEMBL8461727 0.79 LMNA (0.68) MEN1KMT2AMITFALDH1A1FFAR1
SCHEMBL8556508 0.77 P4HTM (0.51) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL6242641 0.77 MEN1 (0.81) MEN1KMT2AMITFCYP26A1CYP3A4
SCHEMBL28419632 0.77 MITF (0.81) MEN1KMT2AMITFFFAR1GAA

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