SCHEMBL8898852

SCHEMBL8898852

C=CCCCCCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
LPAR3 Q9UBY5 2/20 0.48
LPAR2 Q9HBW0 1/20 0.48
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
SLC2A1 P11166 1/20 0.40
ABCC4 O15439 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ADORA1 P30542 1/20 0.35
PLA2G2C Q5R387 1/20 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
SCHEMBL823697 1.00 MEN1 (0.50) MEN1KMT2AMAPTTHRBHTT
SCHEMBL16589825 1.00 MEN1 (0.50) MEN1KMT2AMAPTTHRBHTT
SCHEMBL18396496 1.00 MEN1 (0.50) MEN1KMT2AMAPTTHRBHTT
SCHEMBL6150801 0.98 MEN1 (0.54) MEN1KMT2AMAPTTHRBHTT
SCHEMBL826393 0.98 MEN1 (0.54) MEN1KMT2AMAPTTHRBHTT
SCHEMBL1468539 0.98 MEN1 (0.54) MEN1KMT2AMAPTTHRBHTT
SCHEMBL2530379 0.98 MEN1 (0.54) MEN1KMT2AMAPTTHRBHTT
SCHEMBL8897653 0.98 TSHR (0.48) MEN1KMT2AMAPTTHRBHTT
SCHEMBL8899171 0.91 LPAR3 (0.48) MEN1KMT2AMAPTTHRBHTT
SCHEMBL18033890 0.91 LPAR3 (0.48) MEN1KMT2AMAPTTHRBHTT

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-5691434-A ALKENYLOXYALKYL-SUBSTITUTED SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-11-25 US claimed
US-5691434-A ALKENYLOXYALKYL-SUBSTITUTED SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-11-25 US disclosed