SCHEMBL21736840

SCHEMBL21736840

CC(C)c1ccc(OCC2CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 3/20 0.48
▸ PARP15 Q460N3 2/20 0.48
▸ ACACB O00763 3/20 0.46
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ ACACA Q13085 2/20 0.43
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL20374442 0.88 PARP10 (0.45) PARP10PARP15ACACBSLC6A2SLC6A4
SCHEMBL14159048 0.86 P2RY1 (0.47) ACACBKCNH2
SCHEMBL14159071 0.84 P2RY1 (0.48) ACACB
SCHEMBL13439696 0.83 SIGMAR1 (0.48) —
SCHEMBL23040181 0.82 PARP10 (0.44) PARP10PARP15ACACBSCN9AACACA
SCHEMBL29499785 0.82 PARP10 (0.44) PARP10PARP15ACACBSCN9AACACA
SCHEMBL29499811 0.82 PDE2A (0.48) PARP10PARP15ACACBSCN9AACACA
SCHEMBL23040164 0.82 PDE2A (0.48) PARP10PARP15ACACBSCN9AACACA
SCHEMBL14901056 0.80 PARP10 (0.55) PARP10PARP15SLC6A2SLC6A4HTR3A
SCHEMBL18119645 0.80 NQO1 (0.48) PTGS2

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-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 — — EP disclosed
Send feedback