SCHEMBL7313549

SCHEMBL7313549

CC(C)C(CCCCC(=O)O)(CN1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.39
PTGER3 P43115 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGER2 P43116 3/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
RAB9A P51151 1/20 0.34
SLC1A2 P43004 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7310024 0.82 POLB (0.33) KMT2A
SCHEMBL7308333 0.76 ADRA1A (0.40) SMN1; SMN2CYP2C19HIF1AMEN1KMT2A
SCHEMBL7307231 0.76 CYP2C19 (0.38) SMN1; SMN2ALDH1A1CYP2C19HIF1AMAPT
SCHEMBL7315451 0.75 PTGER4 (0.30) PTGER4PTGER2
SCHEMBL7318358 0.70 FFAR4 (0.38) CYP2C19HIF1AMAPTRXFP1
SCHEMBL11009500 0.70 SMN1; SMN2 (0.37) PTGER3SMN1; SMN2ALDH1A1PTGER2MEN1
SCHEMBL11755090 0.68 PTGER2 (0.38) ALDH1A1PTGER2CYP2C19HIF1ARAB9A
SCHEMBL17267375 0.66 CYP2C19 (0.48) SMN1; SMN2ALDH1A1CYP2C19HIF1AKMT2A
SCHEMBL7308232 0.66 CYP2C19 (0.39) SMN1; SMN2ALDH1A1CYP2C19HIF1AMAPT
SCHEMBL7304642 0.66 EBP (0.54) SMN1; SMN2CYP2C19HIF1AMEN1KMT2A

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