SCHEMBL7309897

SCHEMBL7309897

CC(C)C(C#N)(CCCCC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD11B1 P28845 1/20 0.38
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CDC25A P30304 2/20 0.34
CDC25B P30305 2/20 0.34
TBXAS1 P24557 2/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL7316562 0.88 CA12 (0.39) ALDH1A1HSD11B1MAPTSMN1; SMN2TSHR
SCHEMBL7314215 0.83 SMN1; SMN2 (0.34) TBXA2RALDH1A1TBXAS1SMN1; SMN2CYP1A2
SCHEMBL7314358 0.82 TSHR (0.45) ALDH1A1MAPTCTSSCTSKSMN1; SMN2
SCHEMBL7316601 0.79 LMNA (0.34) ALDH1A1HDAC11MAPTTSHRPPARG
SCHEMBL7314859 0.74 TBXA2R (0.35) TBXA2RALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7306091 0.73 EBP (0.54) TBXA2RHDAC3HDAC4HDAC1HDAC7
SCHEMBL7304642 0.73 EBP (0.54) TBXA2RHDAC3HDAC4HDAC1HDAC7
SCHEMBL7315392 0.72 BLM (0.41) TBXA2RALDH1A1TBXAS1SMN1; SMN2CYP1A2
SCHEMBL7316961 0.72 ALDH1A1 (0.38) TBXA2RALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7314866 0.68 CES2 (0.35) TBXA2RALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed