SCHEMBL12811393

SCHEMBL12811393

C[C@H](C/C=C/C(=O)O)CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ BLM P54132 3/20 0.35
▸ GABRR1 P24046 2/20 0.35
▸ GABRR2 P28476 2/20 0.35
▸ GABRR3 A8MPY1 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 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
SCHEMBL3414694 1.00 LMNA (0.38) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL12811413 1.00 LMNA (0.38) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL3414695 1.00 LMNA (0.38) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL3626575 0.85 ACHE (0.47) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL3626405 0.85 BLM (0.50) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL4199497 0.85 ACHE (0.47) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL3626573 0.85 ACHE (0.47) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL4199498 0.85 ACHE (0.47) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL3626403 0.85 BLM (0.50) LMNATDP1ALDH1A1CYP3A4BLM
SCHEMBL23494340 0.83 ACE2 (0.50) ACHEBACE1ACE2HCAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111387-B1 NEW METHOD FOR PREPARING UNSATURATED FATTY HYDROXY-ACIDS FABRE PIERRE DERMO COSMETIQUE (FR) 2011-03-23 — — EP disclosed
WO-2008084060-A1 NEW METHOD FOR PREPARING UNSATURATED FATTY HYDROXY-ACIDS PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-07-17 — — WO disclosed
WO-2008084062-A1 NEW METHOD FOR PREPARING UNSATURATED FATTY HYDROXY-ACIDS PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-07-17 — — WO disclosed
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