SCHEMBL11268331

SCHEMBL11268331

CCCCCCCCCCCC(=O)NCCN1CCN=C(C)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
FAAH O00519 4/20 0.43
PLD1 Q13393 2/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP2 P42575 1/20 0.39
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
NAAA Q02083 1/20 0.38
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 1/20 0.37
SELP P16109 1/20 0.37

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
SCHEMBL11258526 0.94 EPHX2 (0.48) FAAHHPGDALDH1A1MAPTKDM4E
SCHEMBL11130692 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBGNAI3
SCHEMBL11128278 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBGNAI3
SCHEMBL11264220 0.82 ALDH1A1 (0.51) FAAHHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL11252637 0.82 ALDH1A1 (0.51) FAAHHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL11271410 0.81 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBGNAI3
SCHEMBL9324205 0.81 DNM1 (0.46) DNM1FAAHPLD1CASP2OPRD1
SCHEMBL9647844 0.81 DNM1 (0.46) DNM1FAAHPLD1CASP2OPRD1
SCHEMBL9244113 0.81 DNM1 (0.46) DNM1FAAHPLD1CASP2OPRD1
SCHEMBL9325210 0.81 DNM1 (0.46) DNM1FAAHPLD1CASP2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US claimed
US-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed