SCHEMBL11405459

SCHEMBL11405459

CCCCC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP19A1 P11511 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
SCHEMBL11422868 1.00 NAAA (0.43) NAAAHTTLMNAMAPK1POLB
SCHEMBL11411211 0.96 PKM (0.42) NAAAHTTLMNAMAPK1POLB
SCHEMBL11408117 0.96 PKM (0.42) NAAAHTTLMNAMAPK1POLB
SCHEMBL17059021 0.96 HTT (0.46) NAAAHTTLMNAMAPK1POLB
SCHEMBL11415890 0.95 HTT (0.43) NAAAHTTLMNAMAPK1POLB
SCHEMBL11407732 0.95 HTT (0.43) NAAAHTTLMNAMAPK1POLB
SCHEMBL11412480 0.95 HTT (0.43) NAAAHTTLMNAMAPK1POLB
SCHEMBL11411798 0.95 HTT (0.43) NAAAHTTLMNAMAPK1POLB
SCHEMBL11408333 0.95 HTT (0.43) NAAAHTTLMNAMAPK1POLB
SCHEMBL11406331 0.95 HTT (0.43) NAAAHTTLMNAMAPK1POLB

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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