SCHEMBL4538200

SCHEMBL4538200

C=CCNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RAB9A P51151 7/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
APP P05067 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
PKM P14618 1/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL13586351 0.91 POLB (0.52) POLBRAB9AKDM4EMAPTLMNA
SCHEMBL4350134 0.91 CD274 (0.36) POLBRAB9AKDM4EMAPTLMNA
SCHEMBL4358519 0.89 KDM4E (0.41) POLBRAB9AKDM4EMAPTLMNA
SCHEMBL4538002 0.88 NPY2R (0.42) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL4351363 0.88 GPR119 (0.46) POLBRAB9AKDM4EKMT2APKM
SCHEMBL4533473 0.87 LMNA (0.40) LMNAHPGDGAACD274
SCHEMBL4540400 0.87 GPR119 (0.35) KDM4EMEN1KMT2ASMN1; SMN2CD274
SCHEMBL4361277 0.86 MAPK14 (0.40) LMNACD274
SCHEMBL4360517 0.86 NAMPT (0.41) LMNACD274
SCHEMBL4532899 0.85 KDM4E (0.36) POLBRAB9AKDM4EMAPTLMNA

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed