SCHEMBL9803231

SCHEMBL9803231

COC(=O)CN[C@H](C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.37
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APAF1 O14727 1/20 0.33
GAA P10253 1/20 0.33
KIF11 P52732 3/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KCNA5 P22460 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL15672754 0.77 KCNN4 (0.43) KCNN4POLBALDH1A1RAB9ACA12
SCHEMBL4857148 0.77 KCNN4 (0.43) KCNN4POLBALDH1A1RAB9ACA12
SCHEMBL7641487 0.76 KIF11 (0.44) ALDH1A1MAPK1RAB9AKDM4ETDP1
SCHEMBL29421922 0.76 LMNA (0.46) KCNN4SMN1; SMN2POLBALDH1A1HPGD
SCHEMBL6746239 0.75 MME (0.42) KCNN4SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL6746235 0.75 MME (0.42) KCNN4SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL15898021 0.73 MAPT (0.39) KCNN4SMN1; SMN2POLBALDH1A1KIF11
Diethylamine SCHEMBL29401085 0.73 KCNN4 (0.42) KCNN4POLBALDH1A1KIF11CYP1A2
SCHEMBL2771122 0.73 CYP1A2 (0.40) KCNN4SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL9510102 0.73 MME (0.41) KCNN4SMN1; SMN2HPGDGAAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193904-B1 AMINO ACID DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-06 EP disclosed
US-4743614-A RESTORATIVE PROPERTIES INC IMMUNODEFICIENT HOSTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-10 US disclosed
EP-0193904-A2 Amino acid derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-10 EP disclosed