SCHEMBL9496419

SCHEMBL9496419

O[C@@H]1C=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TYMP P19971 6/20 0.34
SLC6A1 P30531 1/20 0.34
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL9496425 1.00 KIF11 (0.40) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL7213672 1.00 KIF11 (0.40) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL10579044 1.00 KIF11 (0.40) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL260012 0.84 KIF11 (0.40) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL259510 0.77 KIF11 (0.37) KIF11MEN1KMT2A
SCHEMBL6376528 0.76 KMT2A (0.36) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL10515799 0.75 KIF11 (0.43) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL10515519 0.75 KIF11 (0.43) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL10808189 0.72 TYMP (0.49) KIF11MEN1KMT2ATYMPSLC6A1
SCHEMBL9843712 0.72 TYMP (0.49) KIF11MEN1KMT2ATYMPSLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5241069-A Carbonate intermediates for the synthesis of purine substituted cyclopentene derivatives GLAXO INC. (US) 1993-08-31 US disclosed
EP-0487658-A4 SYNTHESIS OF PURINE SUBSTITUTED CYCLOPENTENE DERIVATIVES 1993-03-10 EP disclosed
EP-0489876-A4 SYNTHESIS OF CYCLOPENTENE DERIVATIVES 1992-09-02 EP disclosed
US-5126452-A SYNTHESIS OF PURINE SUBSTITUTED CYCLOPENTENE DERIVATIVES GLAXO INC. (US) 1992-06-30 US disclosed
EP-0489876-A1 SYNTHESIS OF CYCLOPENTENE DERIVATIVES GLAXO INC. (US) 1992-06-17 EP disclosed
EP-0487658-A1 SYNTHESIS OF PURINE SUBSTITUTED CYCLOPENTENE DERIVATIVES GLAXO INC. (US) 1992-06-03 EP disclosed
WO-1991015490-A1 SYNTHESIS OF PURINE SUBSTITUTED CYCLOPENTENE DERIVATIVES GLAXO INC. (US) 1991-10-17 WO disclosed
WO-1991015447-A1 SYNTHESIS OF CYCLOPENTENE DERIVATIVES GLAXO INC. (US) 1991-10-17 WO disclosed
US-5057630-A SYNTHESIS OF CYCLOPENTENE DERIVATIVES GLAXO INC. (US) 1991-10-15 US disclosed
US-4950758-A ANTIVIRAL AND ANTITUMOR AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-08-21 US disclosed