SCHEMBL8631586

SCHEMBL8631586

CCCCC1CCC(O[C]=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ NAAA Q02083 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL8631589 1.00 CYP1A2 (0.47) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL8629303 0.93 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL8629299 0.93 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL97499 0.79 CYP1A2 (0.50) CYP1A2NAAA
SCHEMBL9848529 0.77 CYP1A2 (0.56) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL11681646 0.77 CYP1A2 (0.56) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL5691762 0.76 CYP1A2 (0.74) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL97616 0.76 — —
SCHEMBL13652456 0.75 CYP1A2 (0.54) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL13082034 0.75 CYP1A2 (0.54) CYP1A2NAAAHTTLMNAMAPK1

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-5762824-A VISUAL AIDS WITH QUINOPHTHALONE PIGMENTS WITH DIELECTRIC ANISOTROPY CHISSO CORPORATION (JP) 1998-06-09 — — US disclosed
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