SCHEMBL9580554

SCHEMBL9580554

CCOC(=O)/C=C/C=C/[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KCNN4 O15554 1/20 0.41
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
GUSB P08236 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SLC18A2 Q05940 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9580527 0.92 HTR2A (0.43) ALDH1A1KCNN4CACNA1FCACNA1DCACNA1S
SCHEMBL9580506 0.79 SLC6A3 (0.46)
SCHEMBL9580509 0.79 SLC6A3 (0.46)
SCHEMBL9516957 0.78 TRPV1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHTR2A
SCHEMBL9516969 0.78 TRPV1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHTR2A
SCHEMBL9580461 0.78 TRPV1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHTR2A
SCHEMBL9516964 0.78 TRPV1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CHTR2A
SCHEMBL9580537 0.77 NPSR1 (0.38) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9515220 0.76 HTR2C (0.49) HTR2AHTR2CHTR2BTRPM5
SCHEMBL9515225 0.76 HTR2C (0.49) HTR2AHTR2CHTR2BTRPM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed