SCHEMBL11533299

SCHEMBL11533299

Cc1sc(C(=O)c2ccccc2)cc1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 5/20 0.54
DYRK1A Q13627 2/20 0.47
CLK1 P49759 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGDS O60760 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL16893446 0.80 MAPT (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14645387 0.79 KMT2A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL257364 0.78 ALDH1A1 (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15546267 0.75 KMT2A (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15546759 0.74 KMT2A (0.66) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL1260061 0.72 MEN1 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15545929 0.72 MEN1 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14646277 0.72 KMT2A (0.44) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL3058715 0.72 KMT2A (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL16904651 0.72 MAPT (0.68) KMT2AMEN1NPC1RAB9ASMN1; 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-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 US claimed
US-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 US disclosed