SCHEMBL11835658

SCHEMBL11835658

CC(C)CCCC(C)C/C=C/C=C/C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.46
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ CDC25A P30304 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CMKLR1 Q99788 1/20 0.32
▸ FAAH O00519 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
SCHEMBL11835660 1.00 BLM (0.46) BLMACHEBACE1LMNAPPARA
SCHEMBL3626405 0.87 BLM (0.50) BLMACHEBACE1LMNAPTPN1
SCHEMBL3626403 0.87 BLM (0.50) BLMACHEBACE1LMNAPTPN1
SCHEMBL10768922 0.85 ALDH1A1 (0.50) BLMLMNAPPARAPTPN1CYP3A4
SCHEMBL15609240 0.83 ALDH1A1 (0.39) ACHEBACE1LMNAPPARACYP3A4
SCHEMBL15609241 0.83 ALDH1A1 (0.39) ACHEBACE1LMNAPPARACYP3A4
SCHEMBL7544647 0.82 ALDH1A1 (0.39) BLMLMNAPPARAPTPN1CYP3A4
SCHEMBL7544646 0.82 ALDH1A1 (0.39) BLMLMNAPPARAPTPN1CYP3A4
SCHEMBL10548139 0.80 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL2502158 0.80 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1

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-3966780-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-06-29 — — US disclosed
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