SCHEMBL11406331

SCHEMBL11406331

CCCCCCCC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 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 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LSS P48449 2/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL11415890 1.00 HTT (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11407732 1.00 HTT (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11412480 1.00 HTT (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11411798 1.00 HTT (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11408333 1.00 HTT (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11411211 0.99 PKM (0.42) HTTMEN1KMT2ATP53PKM
SCHEMBL11408117 0.99 PKM (0.42) HTTMEN1KMT2ATP53PKM
SCHEMBL11405459 0.95 NAAA (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11422868 0.95 NAAA (0.43) HTTMEN1KMT2ATP53PKM
SCHEMBL11408072 0.95 HTT (0.47) HTTMEN1KMT2ATP53PKM

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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