SCHEMBL7150629

SCHEMBL7150629

[CH2]COCC(OCCC)OCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
HTT P42858 2/20 0.41
DNM1 Q05193 1/20 0.40
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR5 Q9H1C0 1/20 0.36
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 6/20 0.33
CA12 O43570 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 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
SCHEMBL6708228 0.91 DNM1 (0.39) USP2HTTDNM1LPAR1LPAR3
SCHEMBL11513428 0.91 DNM1 (0.39) USP2HTTDNM1LPAR1LPAR3
SCHEMBL582638 0.88 TSHR (0.33) USP2DNM1LPAR1LPAR3LPAR2
SCHEMBL14958388 0.86 USP2 (0.55) USP2HTTDNM1LPAR1LPAR3
SCHEMBL615986 0.83 TSHR (0.30)
SCHEMBL10530490 0.82 HSD17B10 (0.31)
SCHEMBL28795866 0.80 DNM1 (0.45) USP2HTTDNM1LPAR1LPAR3
SCHEMBL27515670 0.80 DNM1 (0.45) USP2HTTDNM1LPAR1LPAR3
SCHEMBL2469282 0.78 LPAR1 (0.35) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL582639 0.77 LPAR1 (0.37) USP2HTTLPAR1LPAR3LPAR2

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-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed