SCHEMBL8904203

SCHEMBL8904203

N=C(NCc1ccccc1)c1ccc2oc(C(=O)NC3CCC(OCC(=O)O)CC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
HTT P42858 1/20 0.43
F2 P00734 2/20 0.43
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
MAOB P27338 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39

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
SCHEMBL8718406 1.00 RAB9A (0.44) RAB9AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL8712955 0.89 RAB9A (0.40) RAB9AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL8905136 0.89 RAB9A (0.40) RAB9AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL8904670 0.86 F2 (0.55) RAB9ANPC1F2ITGB3ITGA2B
SCHEMBL8716704 0.86 F2 (0.55) RAB9ANPC1F2ITGB3ITGA2B
SCHEMBL8715772 0.79 ACHE (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EMAOB
SCHEMBL8715611 0.77 TP53 (0.56) RAB9AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL8904935 0.77 RAB9A (0.38) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8713248 0.76 TP53 (0.54) RAB9AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL8904590 0.76 TPSAB1 (0.53) RAB9ANPC1F2ITGB3ITGA2B

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-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