SCHEMBL9429690

SCHEMBL9429690

Cc1onc(C(=O)O)c1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.60
LMNA P02545 2/20 0.58
RECQL P46063 1/20 0.58
GHSR Q92847 1/20 0.56
PTGS2 P35354 4/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.51
HIF1A Q16665 1/20 0.51
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL8376637 0.85 LMNA (0.57) GPBAR1LMNARECQLPTGS2MEN1
SCHEMBL9871174 0.84 PTGS2 (0.62) LMNARECQLPTGS2NPC1RAB9A
SCHEMBL9429244 0.84 NPC1 (0.56) LMNARECQLPTGS2NPC1RAB9A
SCHEMBL9429043 0.83 HTT (0.65) GPBAR1LMNAGHSRKDM4ENPC1
SCHEMBL8375488 0.83 LMNA (0.54) LMNARECQLPTGS2KDM4ESMN1; SMN2
SCHEMBL7880670 0.83 LMNA (0.56) LMNARECQLPTGS2NPC1RAB9A
SCHEMBL8377819 0.82 KMT2A (0.54) LMNARECQLGHSRNPC1RAB9A
SCHEMBL8375473 0.80 PTGS2 (0.65) LMNARECQLPTGS2NPC1RAB9A
SCHEMBL8379618 0.80 LMNA (0.54) LMNARECQLPTGS2NPC1RAB9A
SCHEMBL8379472 0.79 LMNA (0.56) LMNARECQLKDM4ENPC1RAB9A

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-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed