SCHEMBL22355235

SCHEMBL22355235

CC(=O)NCC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
OPRK1 P41145 2/20 0.42
CCKBR P32239 2/20 0.42
FAP Q12884 1/20 0.41
NOD2 Q9HC29 2/20 0.41
LMNA P02545 2/20 0.41
TACR1 P25103 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCC3 O15438 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL22355309 0.82 PTPN1 (0.52) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL22355188 0.80 FOLH1 (0.42) KMT2A
SCHEMBL22355228 0.79 PPARA (0.54) MEN1KMT2AALDH1A1HPGDPPARA
SCHEMBL22355227 0.79 PPARA (0.54) MEN1KMT2AALDH1A1HPGDPPARA
SCHEMBL27387111 0.79 ACE (0.55) MEN1KMT2AALDH1A1HPGDFAP
SCHEMBL7717865 0.79 ACE (0.55) MEN1KMT2AALDH1A1HPGDFAP
SCHEMBL28711261 0.79 ALDH1A1 (0.66) MEN1KMT2AALDH1A1HPGDCCKBR
SCHEMBL28711262 0.79 ALDH1A1 (0.66) MEN1KMT2AALDH1A1HPGDCCKBR
SCHEMBL20885316 0.78 L3MBTL1 (0.38) KMT2AALDH1A1OPRK1
SCHEMBL19177339 0.78 ALDH1A1 (0.65) MEN1KMT2AALDH1A1HPGDCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020167831-A1 METHOD OF PREPARING A DON PRODRUG FROM L-GLUTAMIC ACID DRACEN PHARMACEUTICALS, INC. (US) 2020-08-20 WO disclosed