SCHEMBL9839302

SCHEMBL9839302

CCCCC[C@H]1CC[C@H](c2cccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ESR2 Q92731 2/20 0.35
GAA P10253 2/20 0.35
SPHK1 Q9NYA1 6/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
OPRL1 P41146 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL10429862 0.92 CYP2C9 (0.44) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL7666207 0.87 HDAC3 (0.43) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL7666214 0.87 HDAC3 (0.43) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL1813177 0.83 CYP2C9 (0.38) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL7568419 0.83 CYP2C9 (0.47) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL7568425 0.83 CYP2C9 (0.47) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL10924256 0.82 HDAC3 (0.40) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL9561423 0.82 CYP2C9 (0.40) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL16979159 0.82 CYP2C9 (0.46) CYP2C9MEN1KMT2AMAPTMAPK1
SCHEMBL9501064 0.82 CYP2C9 (0.40) CYP2C9MEN1KMT2AMAPTMAPK1

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-5030383-A With low temperature dependence of threshold voltage MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-09 US disclosed