SCHEMBL7313272

SCHEMBL7313272

COCC(CCCCC(=O)OC)(c1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTPRC P08575 2/20 0.37
PTPN13 Q12923 1/20 0.37
MLYCD O95822 1/20 0.37
KCNN4 O15554 1/20 0.36
PPARG P37231 1/20 0.36
TBXAS1 P24557 1/20 0.36
LTB4R Q15722 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL7307231 0.89 CYP2C19 (0.38) LMNAKCNN4ALDH1A1
SCHEMBL12340194 0.76 LMNA (0.43) LMNACA12CA7CA9CA14
SCHEMBL1080987 0.76 CYP2D6 (0.37) KCNN4ALDH1A1
SCHEMBL10387238 0.76 CNR1 (0.55) LMNACNR1CNR2PTPRCKCNN4
SCHEMBL19454902 0.75 CNR1 (0.54) LMNACNR1CNR2PTPRCPTPN13
SCHEMBL7311082 0.74 AKT1 (0.36) LMNACA12CA7CA9CA14
SCHEMBL7311089 0.74 AKT1 (0.36) LMNACA12CA7CA9CA14
SCHEMBL7307298 0.73 CYP1A2 (0.33) LMNAKCNN4
SCHEMBL7318358 0.73 FFAR4 (0.38) TBXAS1
SCHEMBL14002768 0.72 CYP2C19 (0.53) LMNACNR1CNR2CA12CA7

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