SCHEMBL7316601

SCHEMBL7316601

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
TSHR P16473 5/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B1 P15121 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7309897 0.79 TBXA2R (0.41) TSHRMAPTPPARGPPARAHDAC11
SCHEMBL7314358 0.75 TSHR (0.45) TSHRMAPTALDH1A1HSD17B10
SCHEMBL7314215 0.74 SMN1; SMN2 (0.34) TSHRPMP22ALDH1A1TDP1MEN1
SCHEMBL11401848 0.65 LMNA (0.46) LMNATSHRNFKB1PMP22ABCC4
SCHEMBL28879499 0.65 TSHR (0.50) LMNATSHRNFKB1PMP22ABCC4
SCHEMBL13213692 0.65 TSHR (0.44) LMNATSHRNFKB1PMP22ABCC4
SCHEMBL3623997 0.65 LMNA (0.41) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL3624000 0.65 LMNA (0.41) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL28253795 0.64 LMNA (0.65) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL18227972 0.64 LMNA (0.65) LMNATSHRNFKB1PMP22AKR1B1

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