SCHEMBL7961625

SCHEMBL7961625

CC1=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.39
ELANE P08246 1/20 0.38
KIF11 P52732 1/20 0.37
TK2 O00142 7/20 0.35
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
DUT P33316 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7963954 0.72 TK1 (0.38) TK1ELANEKIF11TK2DUT
SCHEMBL4755817 0.70
SCHEMBL2207349 0.70 KIF11 (0.39) TK1ELANEKIF11TK2CYP2C9
SCHEMBL19621223 0.66 KIF11 (0.41) TK1ELANEKIF11TK2CYP2C9
SCHEMBL19020598 0.64 KIF11 (0.46) TK1KIF11TK2MEN1KMT2A
SCHEMBL1092597 0.64 KIF11 (0.54) TK1KIF11CYP2C9TSHRCYP2C19
SCHEMBL15867168 0.63
SCHEMBL28791230 0.62 KIF11 (0.47) TK1ELANEKIF11TK2CYP2C9
SCHEMBL2522162 0.62 CYP2C9 (0.48) TK1ELANEKIF11TK2CYP2C9
SCHEMBL19020517 0.62 KIF11 (0.43) TK1KIF11

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