SCHEMBL27848103

SCHEMBL27848103

O=C(NCCc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 10/20 0.60
CPT1B Q92523 9/20 0.60
CPT2 P23786 8/20 0.60
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL27848105 0.92 CPT1A (0.57) CPT1ACPT1BCPT2POLBCYP2C9
SCHEMBL27865245 0.91 CPT1A (0.63) CPT1ACPT1BCPT2CYP2C9LMNA
SCHEMBL27715640 0.87 CPT1A (0.75) CPT1ACPT1BCPT2LMNAMAPT
SCHEMBL751492 0.86 CPT1A (0.80) CPT1ACPT1BCPT2RORC
SCHEMBL27731306 0.83 CPT1A (0.59) CPT1ACPT1BCPT2CYP2C9LMNA
SCHEMBL27848106 0.80 CPT1A (0.56) CPT1ACPT1BCPT2CYP2C9LMNA
SCHEMBL28796755 0.80 CPT1A (0.74) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL755717 0.79 CPT1A (0.76) CPT1ACPT1BCPT2MAPTRORC
SCHEMBL755030 0.77 CPT1A (0.64) CPT1ACPT1BCPT2CYP2C9LMNA
SCHEMBL750135 0.76 CPT1A (0.85) CPT1ACPT1BCPT2MAPTSMN1; SMN2

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
CN-101379044-B Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-04-11 CN disclosed