SCHEMBL11408117

SCHEMBL11408117

CCCCCC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NAAA Q02083 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP19A1 P11511 1/20 0.32
▸ LSS P48449 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
SCHEMBL11411211 1.00 PKM (0.42) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11406331 0.99 HTT (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11407732 0.99 HTT (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11415890 0.99 HTT (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11408333 0.99 HTT (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11412480 0.99 HTT (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11411798 0.99 HTT (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11405459 0.96 NAAA (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11422868 0.96 NAAA (0.43) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL11242719 0.96 PKM (0.45) PKMHTTMEN1KMT2ACYP1A2

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — US disclosed
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