SCHEMBL7203963

SCHEMBL7203963

CCCCCC(C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.38
KIF11 P52732 2/20 0.37
SIGMAR1 Q99720 3/20 0.37
EGFR P00533 1/20 0.36
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
EBP Q15125 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL10379349 0.98 TDP1 (0.41) LMNAGAATDP1NAAAKIF11
SCHEMBL11750822 0.81 LMNA (0.40) LMNAGAATDP1NAAAKIF11
SCHEMBL28494111 0.80 TDP1 (0.41) LMNAGAATDP1NAAAKIF11
SCHEMBL28866690 0.80 EGFR (0.42) LMNAGAATDP1NAAAKIF11
SCHEMBL28136728 0.80 EGFR (0.42) LMNAGAATDP1NAAAKIF11
SCHEMBL23234253 0.80 SIGMAR1 (0.36) LMNAGAAKIF11SIGMAR1EGFR
SCHEMBL28147087 0.80 EGFR (0.42) LMNAGAATDP1NAAAKIF11
SCHEMBL4414522 0.80 LMNA (0.39) LMNAGAATDP1NAAAKIF11
SCHEMBL10440076 0.79 BCL2 (0.53) LMNAGAASIGMAR1
SCHEMBL1148767 0.78 KCNN4 (0.40) LMNAKIF11ESR1ESR2

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-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed