SCHEMBL10685332

SCHEMBL10685332

CCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H]([C@H]3CC[C@H](OC(C)=O)CC3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
CCR2 P41597 1/20 0.37
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PRKCA P17252 2/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35

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
SCHEMBL10685325 1.00 NAAA (0.44) NAAAPKMMEN1KMT2AHTT
SCHEMBL10684048 0.98 NAAA (0.43) NAAAPKMMEN1KMT2AHTT
SCHEMBL10684054 0.98 NAAA (0.43) NAAAPKMMEN1KMT2AHTT
SCHEMBL10705920 0.98 NAAA (0.45) NAAAPKMMEN1KMT2AHTT
SCHEMBL10702798 0.97 NAAA (0.44) NAAAPKMMEN1KMT2AHTT
SCHEMBL11044853 0.97 NAAA (0.44) NAAAPKMMEN1KMT2AHTT
SCHEMBL10706164 0.97 NAAA (0.44) NAAAPKMMEN1KMT2AHTT
SCHEMBL11044855 0.97 NAAA (0.44) NAAAPKMMEN1KMT2AHTT
SCHEMBL10678231 0.95 NAAA (0.48) NAAAPKMMEN1KMT2AHTT
SCHEMBL10680270 0.95 NAAA (0.47) NAAAPKMMEN1KMT2AHTT

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-4719032-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-12 US disclosed