SCHEMBL7963954

SCHEMBL7963954

CC1=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(=O)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.38
ELANE P08246 1/20 0.37
TK2 O00142 9/20 0.36
KIF11 P52732 1/20 0.36
DUT P33316 2/20 0.34

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
SCHEMBL7961625 0.72 TK1 (0.39) TK1ELANETK2KIF11DUT
SCHEMBL19020598 0.66 KIF11 (0.46) TK1TK2KIF11
SCHEMBL7963957 0.65 TK2 (0.39) TK1TK2KIF11
SCHEMBL24830185 0.63 CYP3A4 (0.38) TK1ELANETK2KIF11
SCHEMBL19020520 0.63 TP53 (0.48) TK1ELANEKIF11
SCHEMBL8839396 0.63 KCNH3 (0.42) KIF11DUT
SCHEMBL2207349 0.63 KIF11 (0.39) TK1ELANETK2KIF11DUT
SCHEMBL7696589 0.63 KCNH3 (0.42) KIF11DUT
SCHEMBL1092597 0.63 KIF11 (0.54) TK1KIF11
SCHEMBL17398262 0.62 ELANE (0.41) TK1ELANETK2KIF11

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
US-6255339-B1 PREVENTION PROSGESTERONE RECEPTOR BINDING MEIJI SEIKA KAISHA, LTD. (JP) 2001-07-03 US disclosed
EP-0885893-A1 NOVEL TETRAHYDRONAPHTHOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1998-12-23 EP disclosed