SCHEMBL8007167

SCHEMBL8007167

CCCCCCCCCCCCCCCCCCc1ccccc1C(OCC(O)CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
CNR2 P34972 2/20 0.38
USP2 O75604 1/20 0.38
CYSLTR2 Q9NS75 6/20 0.37
CYSLTR1 Q9Y271 6/20 0.37
VDR P11473 1/20 0.36
PPARA Q07869 2/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL10868888 0.86 PPARA (0.43) CNR2CYSLTR2CYSLTR1PPARABID
SCHEMBL11150312 0.85 PPARA (0.40) CNR2CYSLTR2CYSLTR1PPARABID
SCHEMBL2307507 0.81 THRA (0.35) LIPGUSP2SAE1
SCHEMBL11152462 0.80 PPARA (0.46) LIPGCNR2VDRPPARAPPARG
SCHEMBL8979339 0.77 ALDH1A1 (0.39)
SCHEMBL30761748 0.76 LIPG (0.44) LIPGCYSLTR2CYSLTR1PPARABID
SCHEMBL465454 0.76 TK1 (0.46) VDR
SCHEMBL6522822 0.76 TK1 (0.46) VDR
SCHEMBL25077082 0.75 TK1 (0.48)
SCHEMBL25077325 0.75 TK1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000024750-A1 RETINOID GLYCEROL PHOSPHOLIPID CONJUGATES CLARION PHARMACEUTICALS, INC. (US) 2000-05-04 WO disclosed