SCHEMBL20392733

SCHEMBL20392733

CCC1=C(c2cc(-c3ccc(Cl)cc3)ccc2C)C(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.42
▸ ACACA Q13085 6/20 0.42
▸ JAK2 O60674 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MET P08581 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ MST1R Q04912 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ CAMK1D Q8IU85 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34

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
SCHEMBL16398857 0.78 ACACB (0.47) ACACBACACAJAK2NTRK1MET
SCHEMBL12118986 0.73 HSD17B1 (0.43) ACACBACACAJAK2NTRK1MET
SCHEMBL11940747 0.73 ACACB (0.54) ACACBACACAJAK2NTRK1MET
SCHEMBL13273300 0.71 ACACB (0.42) ACACBACACAJAK2NTRK1MET
SCHEMBL12119027 0.71 HSD17B1 (0.38) ACACBACACAJAK2NTRK1MET
SCHEMBL12128964 0.69 ACACB (0.46) ACACBACACAJAK2NTRK1MET
SCHEMBL11940679 0.68 HSD17B1 (0.39) ACACBACACAJAK2NTRK1MET
SCHEMBL2355425 0.68 ACACB (0.46) ACACBACACAJAK2NTRK1MET
SCHEMBL2355638 0.68 ACACB (0.50) ACACBACACAPGR
SCHEMBL1025830 0.68 PTGS2 (0.54) HSD17B1PTGS1PTGS2PGR

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
EP-3004063-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-07-18 — — EP disclosed
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