SCHEMBL8924138

SCHEMBL8924138

O=C(O)C(O)[C]1C=CC=CN1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN7 P35236 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9491527 0.66
SCHEMBL8924542 0.60 ALDH1A1 (0.33) KMT2ANPC1RAB9AHSD17B10
SCHEMBL275597 0.56 LMNA (0.79) LMNAMAPK1POLBPKMPTPN1
Mandelic Acid SCHEMBL5313046 0.53 LMNA (1.00) LMNAMAPK1POLBPKMPTPN1
Mandelic Acid SCHEMBL21647917 0.53 LMNA (1.00) LMNAMAPK1POLBPKMPTPN1
Mandelic Acid SCHEMBL165161 0.53 LMNA (1.00) LMNAMAPK1POLBPKMPTPN1
Mandelic Acid SCHEMBL255601 0.53 LMNA (1.00) LMNAMAPK1POLBPKMPTPN1
SCHEMBL275598 0.53 LMNA (0.64) LMNAMAPK1POLBPKMPTPN1
Mandelic Acid SCHEMBL29777368 0.53 LMNA (1.00) LMNAMAPK1POLBPKMPTPN1
Mandelic Acid SCHEMBL1050 0.53 LMNA (1.00) LMNAMAPK1POLBPKMPTPN1

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed