SCHEMBL9666299

SCHEMBL9666299

Cc1cc(CCCCCBr)no1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
SIRT2 Q8IXJ6 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
EPHX2 P34913 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
GAA P10253 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
SCHEMBL18256162 0.98 MAPT (0.39) PPARAMAPTRECQLSIRT2SMN1; SMN2
SCHEMBL9666153 0.94 MAPT (0.39) PPARAMAPTRECQLSIRT2SMN1; SMN2
SCHEMBL27500198 0.86
SCHEMBL25970261 0.82 PPARA (0.54) PPARAMAPTRECQLALDH1A1
SCHEMBL7504627 0.82 PPARA (0.54) PPARAMAPTRECQLALDH1A1
SCHEMBL9666337 0.81 PPARA (0.42) PPARAMAPTRECQLSMN1; SMN2TRPM8
SCHEMBL12461257 0.80 PPARA (0.51) PPARAMAPTRECQLTRPM8ALDH1A1
SCHEMBL3799442 0.80 PPARA (0.47) PPARAMAPTRECQLTRPM8EPHX2
SCHEMBL8977881 0.78 MAPT (0.39) PPARAMAPTRECQLTRPM8EPHX2
SCHEMBL8977882 0.78 ALDH1A1 (0.40) PPARAMAPTRECQLTRPM8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137242-B1 (SUBSTITUTED) PHENYL-ALIPHATIC-ISOXAZOLES USEFUL AS ANTIVIRAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-05-13 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 US disclosed