SCHEMBL9757828

SCHEMBL9757828

CCCCCC1CCC(C2CCC(C)(C(=O)OCC)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
NAAA Q02083 1/20 0.33
PRMT1 Q99873 1/20 0.33
HPGD P15428 1/20 0.33
CCR2 P41597 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
SCHEMBL9758894 0.96 MAPT (0.38) TP53PKMMEN1KMT2AHTT
SCHEMBL9758550 0.90 NAAA (0.37) TP53PKMMEN1KMT2AHTT
SCHEMBL9757935 0.90 PKM (0.36) TP53PKMMEN1KMT2AHTT
SCHEMBL9758891 0.90 PKM (0.36) TP53PKMMEN1KMT2AHTT
SCHEMBL9759387 0.89 NAAA (0.38) TP53PKMMEN1KMT2AHTT
SCHEMBL9759152 0.89 NAAA (0.38) TP53PKMMEN1KMT2AHTT
SCHEMBL9759148 0.88 MAPT (0.36) TP53PKMHTTCYP1A2POLB
SCHEMBL9757950 0.87 MAPT (0.38) TP53PKMMEN1KMT2AHTT
SCHEMBL9758581 0.87 CYP1A2 (0.39) TP53PKMMEN1KMT2AHTT
SCHEMBL9759139 0.86 NAAA (0.37) MEN1KMT2AHTTALDH1A1MAPT

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