SCHEMBL9759092

SCHEMBL9759092

CCCCC[C@H]1CC[C@H](CCC2(C(=O)OCC)CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RECQL P46063 2/20 0.32
NPY1R P25929 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9757754 0.93 MAPK1 (0.36) MAPK1PKMLMNAPOLBMAPT
SCHEMBL9758624 0.92 NAAA (0.34) TP53MAPK1PKMLMNAMAPT
SCHEMBL9758693 0.92 NAAA (0.36) TP53PKMMAPTKMT2AMEN1
SCHEMBL9759646 0.92 PKM (0.33) TP53MAPK1PKMLMNAPOLB
SCHEMBL9759080 0.91 NAAA (0.37) TP53MAPK1PKMKMT2AMEN1
SCHEMBL9757929 0.89 CYP4F2 (0.36) TP53MAPK1PKMLMNAPOLB
SCHEMBL9758782 0.87 NAAA (0.32) MAPK1HTT
SCHEMBL9758283 0.86 NAAA (0.33) MAPK1HTT
SCHEMBL9757717 0.85 TLR4 (0.32) MAPK1ALDH1A1
SCHEMBL9757776 0.84 TLR4 (0.32) MAPK1

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-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed