SCHEMBL8897929

SCHEMBL8897929

CCOC(=O)C1N(c2ccc(Cl)cc2F)C(=O)C2CCCCN21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CCR2 P41597 2/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPOX P50336 2/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL8895085 0.81 PPOX (0.54) TSHRMAPK1RECQLALDH1A1MAPT
SCHEMBL8896586 0.79 PPOX (0.49) TSHRL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL17542785 0.75 ALDH1A1 (0.56) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29948657 0.75 ALDH1A1 (0.56) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9727445 0.67 TSHR (0.55) TSHRMAPK1RECQLALDH1A1SMN1; SMN2
SCHEMBL6393297 0.67 CCR2 (0.67) CCR2CCR1CCR5
SCHEMBL6393300 0.67 CCR2 (0.67) CCR2CCR1CCR5
SCHEMBL17542826 0.67 LGMN (0.59) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3436573 0.66 MEN1 (0.61) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11038098 0.66 AR (0.52) CCR2CCR1CCR5L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643855-A Herbicidal imidazolones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-01 US disclosed
EP-0674644-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-10-04 EP disclosed
WO-1994014817-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-07 WO disclosed