SCHEMBL7947037

SCHEMBL7947037

CCOC(=O)CCCCn1c(C(=O)OCC)cc2c(Cl)cc(OCc3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL7954481 0.85 TNF (0.43) PLA2G2APSEN1PSEN2APH1BNCSTN
SCHEMBL7881965 0.83 SRD5A2 (0.47) MAPTALDH1A1TDP1POLBTSHR
SCHEMBL7954138 0.82 TNF (0.40) PLA2G2AMAPTALDH1A1TDP1TSHR
SCHEMBL7956149 0.80 L3MBTL1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7947040 0.80 CNR1 (0.46) PLA2G2AALDH1A1TDP1TSHRKDM4E
SCHEMBL2016346 0.79 SRD5A2 (0.56) PLA2G2AKDM4E
SCHEMBL27473003 0.79 PLA2G2A (0.43) PLA2G2AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7955768 0.79 DYRK1A (0.42) PLA2G2AMAPTALDH1A1TDP1POLB
SCHEMBL27474224 0.77 CNR1 (0.45) PLA2G2AALDH1A1TDP1TSHRKDM4E
SCHEMBL8689867 0.77 KDM4E (0.54) KDM4ETNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
CN-1161334-A Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof SUMITOMO PHARMA (JP) 1997-10-08 CN disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed