SCHEMBL8401893

SCHEMBL8401893

CC(=O)Oc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.51
BACE1 P56817 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAOB P27338 1/20 0.51
RXFP1 Q9HBX9 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
MEN1 O00255 1/20 0.50
AVPR2 P30518 1/20 0.49
GPR27 Q9NS67 1/20 0.49

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
SCHEMBL133550 0.88 P2RX1 (0.63) MAPTRXFP1
SCHEMBL4431610 0.86 RXFP1 (0.66) PTGS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2703394 0.86 LMNA (0.62) PTGS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2699662 0.86 RXFP1 (0.69) PTGS1MAPTRXFP1
SCHEMBL10192623 0.84 KMT2A (0.68) PTGS1RAB9AMAPTLMNAKMT2A
SCHEMBL10282820 0.84 P2RX1 (0.57) MAPTRXFP1
SCHEMBL28038264 0.83 SMN1; SMN2 (0.68) PTGS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2700947 0.83 RAB9A (0.62) PTGS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2700957 0.82 KMT2A (0.55) PTGS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2699617 0.82 POLB (0.55) PTGS1RAB9AMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5905090-A IMMUNOSUPPRESSANTS AND/OR ANTIINFLAMMATORIES ITALFARMACO S.P.A. (IT) 1999-05-18 US disclosed