SCHEMBL7948508

SCHEMBL7948508

[CH2]C(O)C(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ADRA2C P18825 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
CYP2C19 P33261 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
SCHEMBL7960004 0.80 LMNA (0.44) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL3847054 0.78 TAAR1 (0.44) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL28466803 0.76 LMNA (0.48) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL2093738 0.75 MIF (0.43) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL6284200 0.75 TAAR1 (0.44) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL5873452 0.75 LMNA (0.52) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL10368322 0.75 LMNA (0.52) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14415607 0.71 ADRA2A (0.54) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14415606 0.71 ADRA2A (0.54) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14415604 0.71 ADRA2A (0.54) LMNAADRA2CKDM4EADRA2AHIF1A

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-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed