SCHEMBL5839009

SCHEMBL5839009

O=C(O)c1ccccc1OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.55
RXRB P28702 4/20 0.55
RXRG P48443 4/20 0.55
MRGPRX4 Q96LA9 8/20 0.55
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL5839649 0.85 LMNA (0.59) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL2451483 0.80 RXRA (0.58) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL2453780 0.79 NR4A2 (0.62) MRGPRX4HTTALDH1A1MAPTL3MBTL1
SCHEMBL2452574 0.79 LMNA (0.68) LMNANPC1ALDH1A1HPGDFOLH1
SCHEMBL28758280 0.78 NPC1 (0.56) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL23673335 0.78 KMT2A (0.54) RXRARXRBRXRGMRGPRX4HTT
SCHEMBL5839135 0.78 ALDH1A1 (0.53) RXRARXRBRXRGMRGPRX4HTT
SCHEMBL5839505 0.77 MRGPRX4 (0.59) MRGPRX4HTTALDH1A1HPGD
SCHEMBL5838725 0.77 MRGPRX4 (0.53) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL2453382 0.77 LMNA (0.62) MRGPRX4LMNANPC1ALDH1A1HPGD

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
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed