SCHEMBL17226397

SCHEMBL17226397

C=C(N)C(=O)Oc1ccc(CC)c(OC(=O)C(=C)N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ELANE P08246 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
PARP10 Q53GL7 1/20 0.34
TSHR P16473 1/20 0.34
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL14946881 0.89 PDE4A (0.38) KDM4EELANEPARP10GLA
SCHEMBL28103046 0.81 MAPK1 (0.47) KDM4EALDH1A1MAPTMAPK1PARP10
SCHEMBL14947442 0.81 KMT2A (0.39) KDM4EELANEALDH1A1MAPTMAPK1
SCHEMBL28103050 0.80 CA12 (0.52) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL28097757 0.78 RAB9A (0.47) ALDH1A1KMT2ALMNACYP2C19
SCHEMBL28073639 0.72 CA1 (0.53) ALDH1A1MAPTLMNAPARP10PRSS1
SCHEMBL27836392 0.71 KDM4E (0.53) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL15495947 0.71 ELANE (0.46) KDM4EELANEALDH1A1MAPTMAPK1
SCHEMBL20202282 0.70 HSD17B1 (0.39) KDM4EELANEALDH1A1MAPTMAPK1
SCHEMBL28097763 0.70 PARP1 (0.54) ALDH1A1MEN1KMT2ALMNATSHR

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
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed