SCHEMBL12487561

SCHEMBL12487561

O=C(OCCC1CCCO1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
GLA P06280 1/20 0.48
ALOX12 P18054 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.47
OXTR P30559 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL26025586 0.85 HPGD (0.57) HPGDALDH1A1LMNAHTT
SCHEMBL3598235 0.85 HPGD (0.57) HPGDALDH1A1LMNAHTT
SCHEMBL23394177 0.85 HPGD (0.57) HPGDALDH1A1LMNAHTT
SCHEMBL26324134 0.84 TDP1 (0.60) HPGDTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL10857542 0.83 HPGD (0.44) HPGDTDP1ALDH1A1GAAGLA
SCHEMBL10857532 0.82 HPGD (0.44) HPGDTDP1ALDH1A1GAAGLA
SCHEMBL18280147 0.81 MGLL (0.58)
SCHEMBL27719125 0.81 TDP1 (0.47) TDP1LMNA
SCHEMBL9354623 0.80 ALDH1A1 (0.66) HPGDALDH1A1LMNA
SCHEMBL7619766 0.79 TDP1 (0.49) TDP1ALDH1A1LMNA

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
WO-2012122075-A1 LACTAM DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-13 WO disclosed