SCHEMBL9848529

SCHEMBL9848529

CCCCC1CCC(OC2CCC(CCCC)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.56
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NAAA Q02083 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ LSS P48449 1/20 0.31

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
SCHEMBL14366452 0.93 CYP1A2 (0.48) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL11681646 0.86 CYP1A2 (0.56) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL5691762 0.84 CYP1A2 (0.74) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL97616 0.84 — —
SCHEMBL13082034 0.84 CYP1A2 (0.54) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL8570161 0.84 CYP1A2 (0.54) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL13652456 0.84 CYP1A2 (0.54) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL10680684 0.82 CYP1A2 (0.52) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL10672618 0.82 CYP1A2 (0.52) CYP1A2HTTLMNAMAPK1NAAA
SCHEMBL10672611 0.82 CYP1A2 (0.52) CYP1A2HTTLMNAMAPK1NAAA

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
EP-0442679-A1 Purification of latex ROHM AND HAAS COMPANY (US) 1991-08-21 — — EP disclosed
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