SCHEMBL8558290

SCHEMBL8558290

Cc1cccc(F)c1-c1nc(Cc2ccccc2)oc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRB P28702 2/20 0.38
NR4A2 P43354 1/20 0.38
ALPL P05186 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RXRG P48443 1/20 0.35
MAPT P10636 3/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SCN9A Q15858 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
SCHEMBL8559668 0.94 ALPL (0.36) RXRAALPLALDH1A1MAPTALOX5AP
SCHEMBL8560361 0.93 RXRA (0.46) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8561044 0.92 NPC1 (0.38) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8555128 0.89 MAPT (0.35) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8556682 0.88 RPS6KA2 (0.43) RXRACA12CA1CA2CA9
SCHEMBL8554064 0.88 RXRA (0.40) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8557881 0.87 ALPL (0.36) ALPLALDH1A1MAPTALOX5APFEN1
SCHEMBL8560516 0.87 FAAH (0.36) NR4A2ALDH1A1MAPTALOX5APFEN1
SCHEMBL8558684 0.87 RXRA (0.46) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8556834 0.87 MAPT (0.35) RXRANPC1HPGDRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed