SCHEMBL8712906

SCHEMBL8712906

N=C(NC(=O)OCc1ccccc1)c1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 1/20 0.46
PLAU P00749 2/20 0.45
PIM1 P11309 2/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40

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
SCHEMBL8716410 0.84 LMNA (0.53) TP53LMNAPIM1HPGDF2
SCHEMBL8712740 0.82 KMT2A (0.54) TP53LMNAPIM1HPGDALDH1A1
SCHEMBL8713163 0.81 ATM (0.41) MAOBPLAUF2HTTHSD17B10
SCHEMBL8715611 0.81 TP53 (0.56) TP53LMNAMAOBPIM1HPGD
SCHEMBL10745756 0.80 PLAU (0.49) LMNAPLAUSMN1; SMN2F2KLK8
Hydrochloric Acid SCHEMBL8713248 0.80 TP53 (0.54) TP53LMNAMAOBPIM1HPGD
SCHEMBL5845871 0.79 NR4A1 (0.51) LMNAPLAUSMN1; SMN2HTTTDP1
SCHEMBL8904345 0.79 NPC1 (0.43) TP53MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8903566 0.78 RAB9A (0.41) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8905175 0.78 DRD4 (0.45) MAOBPTGER4ITGB3ITGA2B

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed