SCHEMBL8574668

SCHEMBL8574668

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1cc(NC(=O)c3ccccc3Oc3ccccc3)nc1C)c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CSNK1D P48730 1/20 0.30
▸ CSNK1E P49674 1/20 0.30
▸ MAP3K5 Q99683 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8574490 0.89 MPL (0.31) TSHRL3MBTL1NPSR1RAB9AMEN1
SCHEMBL8577131 0.87 GAA (0.34) GAATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL8574660 0.81 LMNA (0.38) GAATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL8573358 0.81 ALDH1A1 (0.39) L3MBTL1NPSR1ALDH1A1RXFP1RAB9A
SCHEMBL8717987 0.80 CCR3 (0.44) MEN1KMT2AMAPT
SCHEMBL8665520 0.79 CCR3 (0.42) L3MBTL1NPSR1
SCHEMBL8482402 0.79 CCR3 (0.35) GAATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL8668024 0.79 CCR3 (0.35) GAATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL8712541 0.78 CCR3 (0.44) L3MBTL1NPSR1MEN1KMT2AMAPT
SCHEMBL8665531 0.77 CCR3 (0.41) L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 — — US claimed
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 — — US disclosed
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — US disclosed
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