SCHEMBL18971353

SCHEMBL18971353

COC1=C(c2cc(-c3ccc(Cl)cc3)ccc2C)C(=O)C2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 11/20 0.45
▸ ACACA Q13085 11/20 0.45
▸ SLC6A3 Q01959 4/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ MET P08581 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ MST1R Q04912 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ CAMK1D Q8IU85 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL18971929 0.90 SLC6A3 (0.37) ACACBACACASLC6A3TP53MAPT
SCHEMBL18971288 0.84 ACACB (0.47) ACACBACACASLC6A3JAK2NTRK1
SCHEMBL12115750 0.84 ACACB (0.47) ACACBACACASLC6A3JAK2NTRK1
SCHEMBL15099566 0.84 ACACB (0.47) ACACBACACASLC6A3JAK2NTRK1
SCHEMBL18971142 0.84 ACACB (0.47) ACACBACACASLC6A3JAK2NTRK1
SCHEMBL12115813 0.78 ACACB (0.39) ACACBACACASLC6A3
SCHEMBL18971333 0.78 ACACB (0.39) ACACBACACASLC6A3
SCHEMBL18971252 0.77 ABL1 (0.41) ACACBACACASLC6A3ABL1
SCHEMBL12115868 0.77 ABL1 (0.41) ACACBACACASLC6A3ABL1
SCHEMBL12115879 0.76 ACACB (0.40) ACACBACACASLC6A3ABL1KDM1A

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-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 — — EP disclosed
Send feedback