SCHEMBL528960

SCHEMBL528960

CCCCCCCCCCCCCCCC(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
TACR1 P25103 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MTNR1A P48039 2/20 0.53
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL29701301 1.00 KDM4E (0.56) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL598940 1.00 KDM4E (0.56) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29701308 1.00 KDM4E (0.56) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL28546877 1.00 KDM4E (0.56) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL28031734 0.99 KDM4E (0.55) KDM4EMAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL28177664 0.99 KDM4E (0.55) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29431877 0.99 KDM4E (0.55) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL28910765 0.99 KDM4E (0.57) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29701304 0.96 MAPT (0.58) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL28542188 0.96 MAPT (0.58) KDM4EMAPTMEN1KMT2ALMNA

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-2598873-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2013-06-05 EP disclosed
WO-2012015904-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2012-02-02 WO disclosed