SCHEMBL17536165

SCHEMBL17536165

O=C1NC(=O)C(Cc2ccc(OCO)cc2)S1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.69
PPARA Q07869 2/20 0.69
PPARG P37231 12/20 0.64
MAPT P10636 2/20 0.63
CYP3A4 P08684 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
HRH3 Q9Y5N1 1/20 0.62
RXRA P19793 1/20 0.58
MPC2 O95563 2/20 0.57
CYP2C8 P10632 2/20 0.57
CYP2C9 P11712 2/20 0.57

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
SCHEMBL9803857 0.90 FFAR1 (0.67) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570670 0.89 FFAR1 (0.71) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570653 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL8312136 0.88 FFAR1 (0.87) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570697 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570853 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570574 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570560 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL8957444 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570566 0.88 FFAR1 (0.69) FFAR1PPARAPPARGMAPTCYP3A4

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-9579335-B2 Treatment of cystic diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-02-28 US disclosed
WO-2016025879-A1 TREATMENT OF CYSTIC DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-02-18 WO disclosed