SCHEMBL11720348

SCHEMBL11720348

O=C(Nc1ccccc1F)N1CCCC1CO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ DHODH Q02127 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ POLB P06746 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
SCHEMBL11718228 0.81 KDM4E (0.56) ALDH1A1TSHRNPSR1TDP1KMT2A
SCHEMBL11717344 0.81 EPHX2 (0.47) TDP1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL11719448 0.81 KMT2A (0.70) ALDH1A1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL5105015 0.80 ITGB3 (0.72) ALDH1A1TSHRNPSR1TDP1KMT2A
SCHEMBL15652855 0.76 ITGB3 (0.47) ALDH1A1TSHRTDP1KMT2AL3MBTL1
SCHEMBL15652856 0.76 ITGB3 (0.47) ALDH1A1TSHRTDP1KMT2AL3MBTL1
SCHEMBL11720518 0.73 EPHX2 (0.61) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL11717787 0.73 LMNA (0.51) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL11718519 0.73 L3MBTL1 (0.58) ALDH1A1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL15653394 0.72 MAPT (0.49) ALDH1A1TDP1KMT2AL3MBTL1MEN1

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
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