SCHEMBL20034060

SCHEMBL20034060

C=C[C@H](OCc1ccccc1)[C@@H](/C=C\c1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.41
LCK P06239 1/20 0.38
CNR2 P34972 1/20 0.38
PPARG P37231 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HTR2A P28223 3/20 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
SCHEMBL16291883 1.00 MEN1 (0.44) MEN1KMT2ALMNALCKCNR2
SCHEMBL16291884 1.00 MEN1 (0.44) MEN1KMT2ALMNALCKCNR2
SCHEMBL16307998 0.88 MEN1 (0.46) MEN1KMT2ALMNALCKCNR2
SCHEMBL16308018 0.82 RCE1 (0.38) MEN1KMT2ATSHRCA7CA9
SCHEMBL16308015 0.81 MAOB (0.44) MEN1KMT2ATSHRCA7CA9
SCHEMBL17679381 0.79 RCE1 (0.39) MEN1KMT2ALMNATSHRCA7
SCHEMBL17679382 0.79 RCE1 (0.39) MEN1KMT2ATSHRCA7CA9
SCHEMBL17679383 0.78 TSHR (0.41) MEN1KMT2ATSHRCA7CA9
SCHEMBL20034084 0.78 RCE1 (0.35) MEN1KMT2ATSHRCA7CA9
SCHEMBL20871816 0.78 SLC1A3 (0.44) MEN1KMT2ATSHRCA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed