SCHEMBL20873175

SCHEMBL20873175

CCOc1ccc(N(C(=O)OC(C)(C)C)C(C)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACACB O00763 3/20 0.39
HPGD P15428 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
NQO1 P15559 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL7767128 0.85 ELANE (0.49) NPSR1MEN1KMT2A
SCHEMBL1134230 0.83 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1LMNA
SCHEMBL3288030 0.83 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1LMNA
SCHEMBL6832915 0.79 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1MAOB
SCHEMBL7227209 0.74 ALDH1A1 (0.43) NPSR1MEN1KMT2AACACBHPGD
SCHEMBL9877199 0.74 NQO1 (0.45) NPSR1MEN1KMT2AACACBHPGD
SCHEMBL1642844 0.74 CYP2B6 (0.41) NPSR1HPGDALDH1A1MAPT
SCHEMBL2171679 0.74 AAK1 (0.38) MEN1KMT2ALMNA
SCHEMBL11925042 0.72 LMNA (0.51) NPSR1MEN1KMT2AACACBHPGD
SCHEMBL17513368 0.70 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1LMNA

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-3464237-A1 NOVEL PROCESS FOR THE PREPARATION OF GADOLINIUM COMPLEX OF (4S)-4-(4-ETHOXYBENZYL)-3,6,9-TRIS(CARBOXYLATOMETHYL)-3,6,9- TRIAZAUNDECANEDIOIC ACID DISODIUM (GADOXETATE DISODIUM) Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2019-04-10 EP claimed
EP-3464237-A1 NOVEL PROCESS FOR THE PREPARATION OF GADOLINIUM COMPLEX OF (4S)-4-(4-ETHOXYBENZYL)-3,6,9-TRIS(CARBOXYLATOMETHYL)-3,6,9- TRIAZAUNDECANEDIOIC ACID DISODIUM (GADOXETATE DISODIUM) Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2019-04-10 EP disclosed