SCHEMBL11717787

SCHEMBL11717787

Cc1ccc(NC(=O)N2CCCC2CO)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CHRM3 P20309 2/20 0.43
▸ THRB P10828 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11718519 0.74 L3MBTL1 (0.58) LMNAEPHX2MAPTL3MBTL1KMT2A
SCHEMBL11720348 0.73 ALDH1A1 (0.51) EPHX2RAB9ANPC1POLBL3MBTL1
SCHEMBL15652856 0.72 ITGB3 (0.47) LMNAEPHX2MAPTRAB9ANPC1
SCHEMBL15652855 0.72 ITGB3 (0.47) LMNAEPHX2MAPTRAB9ANPC1
SCHEMBL11719448 0.71 KMT2A (0.70) EPHX2MAPTTHRBRAB9ANPC1
SCHEMBL11717344 0.70 EPHX2 (0.47) EPHX2MAPTCHRM3POLBL3MBTL1
SCHEMBL10194843 0.70 SPHK2 (0.55) RAB9ANPC1POLBL3MBTL1KMT2A
SCHEMBL11720518 0.69 EPHX2 (0.61) EPHX2MAPTTHRBRAB9ANPC1
SCHEMBL11718912 0.69 EPHX2 (0.67) LMNAEPHX2MAPTKMT2ATDP1
SCHEMBL15653394 0.69 MAPT (0.49) LMNAEPHX2MAPTRAB9AL3MBTL1

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-4065291-A Herbicidal 1-(2-hydroxymethylpyrrolidinyl) carboxanilides CHEVRON RESEARCH COMPANY (US) 1977-12-27 — — US disclosed
Send feedback