SCHEMBL11577645

SCHEMBL11577645

O=C1CCC(=O)N1C(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PLAU P00749 1/20 0.46
▸ ELANE P08246 1/20 0.46
▸ GAA P10253 2/20 0.45

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
SCHEMBL1270480 0.79 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL3455701 0.77 ALDH1A1 (0.55) RXFP1ALDH1A1LMNAHTTHPGD
SCHEMBL7838341 0.76 CTSG (0.51) RXFP1ALDH1A1LMNAHTTHPGD
SCHEMBL11575158 0.75 BCHE (0.56) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL20820918 0.75 TSHR (0.58) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10723816 0.75 RAB9A (0.80) RXFP1ALDH1A1LMNAHTTHPGD
SCHEMBL31225704 0.74 KMT2A (0.57) RXFP1ALDH1A1LMNAHTTHPGD
SCHEMBL669626 0.72 KMT2A (0.54) ALDH1A1HPGDKMT2ARAB9A
SCHEMBL4171372 0.72 KMT2A (0.73) RXFP1ALDH1A1LMNAHTTHPGD
SCHEMBL3454984 0.70 KMT2A (0.72) RXFP1ALDH1A1LMNAHTTHPGD

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-4120809-A Washing and bleaching with composition containing bleach activator and a nitrilotricarboxylic acid compound COLGATE-PALMOLIVE COMPANY (US) 1978-10-17 — — US disclosed
US-3969257-A Washing and bleaching composition containing bleach, activator and a nitrilotricarboxylic acid compound COLGATE-PALMOLIVE COMPANY (US) 1976-07-13 — — US disclosed
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