SCHEMBL8882503

SCHEMBL8882503

CC1CC/C(=C\c2ccccc2Cl)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 1/20 0.51
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.48
XDH P47989 2/20 0.46
EGFR P00533 2/20 0.44
ACHE P22303 1/20 0.42
PIM1 P11309 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR3 P51677 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL8882507 1.00 DYRK2 (0.51) DYRK2MAPTNPSR1HTTXDH
SCHEMBL8677772 0.82 MAPT (0.50) MAPTACHENPC1RAB9AMEN1
SCHEMBL8677775 0.82 MAPT (0.50) MAPTACHENPC1RAB9AMEN1
SCHEMBL9448646 0.81 MIF (0.49) MAPTHTTNPC1RAB9AHPGD
SCHEMBL6865063 0.77 HSP90AA1 (0.56) DYRK2MAPTNPSR1HTTXDH
SCHEMBL5168336 0.77 HSP90AA1 (0.56) DYRK2MAPTNPSR1HTTXDH
SCHEMBL9047403 0.77 MAPT (0.61) MAPTNPSR1HTTNPC1RAB9A
SCHEMBL9048357 0.77 MAPT (0.61) MAPTNPSR1HTTNPC1RAB9A
SCHEMBL8674216 0.74 AKR1C3 (0.51) MAPTEGFRACHEPIM1NPC1
SCHEMBL8980263 0.74 AKR1C3 (0.51) MAPTEGFRACHEPIM1NPC1

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-5639918-A Intermediate compounds useful in the preparation of fungicidal compositions containing (benzylidene)-azolylmethyclycloalkane RHONE-POULENC AGROCHIMIE (FR) 1997-06-17 US disclosed
US-5380743-A Fungicidal compositions containing (benzylidene)-azolymethylcycloalkane RHONE-POULENC AGROCHIMIE (FR) 1995-01-10 US disclosed
US-5256683-A Plant protective agent 1H-1,2,4-triazolylmethylcycloalkane or -alkene benzylidene RHONE-POULENC AGROCHIMIE (FR) 1993-10-26 US disclosed