SCHEMBL8875233

SCHEMBL8875233

CCSCc1cc(CCCO)on1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
TYR P14679 1/20 0.33
RAB9A P51151 5/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8875619 0.84 PPARA (0.41) PPARARAB9AHPGD
SCHEMBL8874907 0.74 PPARA (0.41) PPARARAB9AHPGDS1PR1S1PR3
SCHEMBL8876022 0.71 PPARA (0.38) PPARARAB9AHPGD
SCHEMBL1052595 0.71 VHL (0.44) PPARARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL18256179 0.71 PPARA (0.43) PPARARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL25603631 0.70 PPARA (0.57) PPARARAB9AHPGDNPC1SMN1; SMN2
SCHEMBL1221911 0.70 PPARA (0.61) PPARARAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL19598757 0.69 PPARA (0.49) PPARARAB9AHPGDMAPTMAPK1
SCHEMBL25801694 0.69 PPARA (0.64) PPARARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL838157 0.69 SMN1; SMN2 (0.51) PPARARAB9AMAPK1NPC1SMN1; SMN2

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-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed