SCHEMBL7652528

SCHEMBL7652528

CNC(=O)c1nc2ccc(OC)cc2c(-c2ccc3c(c2)OCO3)c1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.48
EDNRB P24530 3/20 0.48
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7655588 0.75 PLA2G2A (0.45) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7662370 0.74 ALOX5 (0.65) ALOX5KDM4EALDH1A1KMT2AMEN1
SCHEMBL7662862 0.74 ALOX5 (0.40) ALOX5KDM4EALDH1A1LMNAMAPT
SCHEMBL15920800 0.70 MAPT (0.52) EDNRAEDNRBALOX5KDM4EALDH1A1
SCHEMBL17280343 0.70 ALOX5 (0.43) EDNRAEDNRBALOX5KDM4EALDH1A1
SCHEMBL7658336 0.70 ALDH1A1 (0.42) ALOX5KDM4EALDH1A1KMT2AMEN1
SCHEMBL8208014 0.69 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL7655331 0.69 ALOX5 (0.52) ALOX5KDM4EALDH1A1KMT2AMEN1
SCHEMBL7657876 0.68 ALDH1A1 (0.40) EDNRAKDM4EALDH1A1KMT2AMEN1
SCHEMBL7655721 0.68 ALOX5 (0.49) ALOX5KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed