SCHEMBL9819031

SCHEMBL9819031

O=C(NC1(C(=O)O)CCOc2ccccc21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
FAAH O00519 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL10575352 0.84 ALDH1A1 (0.36) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10487439 0.77 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15469385 0.76 NPC1 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27999909 0.74 AKR1B1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28766442 0.74 NPC1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15468038 0.74 KIF11 (0.45) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL15468037 0.74 KIF11 (0.45) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL18159806 0.70 RARA (0.40) KMT2ASMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL10759714 0.70 KMT2A (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15467040 0.69 TRPM8 (0.54) NPC1RAB9AMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed