SCHEMBL9759646

SCHEMBL9759646

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NAAA Q02083 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 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
SCHEMBL9758693 0.95 NAAA (0.36) PKMHTTMEN1KMT2AMAPT
SCHEMBL9758624 0.95 NAAA (0.34) PKMHTTMEN1KMT2AMAPT
SCHEMBL9759080 0.94 NAAA (0.37) PKMHTTMEN1KMT2AMAPK1
SCHEMBL9757776 0.93 TLR4 (0.32) MAPK1
SCHEMBL9759092 0.92 TP53 (0.34) PKMHTTMEN1KMT2AMAPT
SCHEMBL9758782 0.91 NAAA (0.32) HTTMAPK1NAAAGAA
SCHEMBL9758283 0.89 NAAA (0.33) HTTMAPK1NAAAGAA
SCHEMBL9757717 0.89 TLR4 (0.32) MAPK1HPGD
SCHEMBL9757929 0.88 CYP4F2 (0.36) PKMHTTMEN1KMT2AMAPT
SCHEMBL9757754 0.84 MAPK1 (0.36) PKMMEN1KMT2AMAPTLMNA

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