SCHEMBL19139642

SCHEMBL19139642

CCC1CC(=O)C(c2c(C)cc(-c3ccc(F)c(Cl)c3)cc2C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PGR P06401 10/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TDP2 O95551 1/20 0.34
▸ ERCC1 P07992 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 1/20 0.33
▸ ABCC9 O60706 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32

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
SCHEMBL16206279 0.82 POLB (0.39) GRM2HTR2APGR
SCHEMBL17617257 0.76 KMT2A (0.39) KMT2A
SCHEMBL19139493 0.75 SIRT2 (0.35) —
SCHEMBL20392790 0.74 ALDH1A1 (0.31) —
SCHEMBL17734408 0.74 ALDH1A1 (0.31) —
SCHEMBL20392789 0.74 ALDH1A1 (0.31) —
SCHEMBL6727681 0.73 HTR2A (0.38) GRM2HTR2APGRPTGS1PTGS2
SCHEMBL18873843 0.73 HTR2A (0.38) GRM2HTR2APGRPTGS1PTGS2
SCHEMBL16398846 0.71 PYCR1 (0.32) —
SCHEMBL16204000 0.71 KDM4E (0.39) KMT2ABRD4

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-2986593-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2017-07-19 — — EP disclosed
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