SCHEMBL9666337

SCHEMBL9666337

Cc1cc(CCCCCO)no1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.42
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL6391920 0.94 PPARA (0.40) PPARAMAPTRECQLEPHX2ALDH1A1
SCHEMBL12825220 0.86
SCHEMBL22266271 0.84 PPARA (0.35) PPARAMAPTRECQLEPHX2LMNA
SCHEMBL22266312 0.84 PPARA (0.35) PPARAMAPTRECQLEPHX2LMNA
SCHEMBL7504627 0.82 PPARA (0.54) PPARAMAPTRECQLALDH1A1
SCHEMBL25970261 0.82 PPARA (0.54) PPARAMAPTRECQLALDH1A1
SCHEMBL22266387 0.81 MAPT (0.34) PPARAMAPTRECQLEPHX2ALDH1A1
SCHEMBL22266359 0.81 TSHR (0.37) PPARAMAPTRECQLEPHX2ALDH1A1
SCHEMBL9666299 0.81 PPARA (0.39) PPARAMAPTRECQLEPHX2ALDH1A1
SCHEMBL12461257 0.80 PPARA (0.51) PPARAMAPTRECQLALDH1A1TRPM8

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