SCHEMBL7958837

SCHEMBL7958837

SC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A3 Q01959 8/20 0.33
ACP1 P24666 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
SCHEMBL15869184 0.87 TNK2 (0.40) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL4390019 0.87 TNK2 (0.40) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL3500438 0.86 TNK2 (0.44) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL7231881 0.84 KMT2A (0.40) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL20032688 0.84 MEN1 (0.40) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL7774785 0.84 KMT2A (0.40) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL19389542 0.81 TNK2 (0.40) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL4377518 0.81 TNK2 (0.36) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL9875684 0.81 HSD11B1 (0.39) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL15869195 0.80 FFAR1 (0.39) TNK2MEN1KMT2ADHFR

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