SCHEMBL7324849

SCHEMBL7324849

CCC(=O)c1ccc(OC(C)=O)c(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
GRM2 Q14416 4/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AB1 P08238 1/20 0.41
ACHE P22303 1/20 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
SCHEMBL7324689 0.83 RAB9A (0.41) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL19266384 0.81 GRM2 (0.50) MAPTSMN1; SMN2GRM2CYP2C9CYP2C19
SCHEMBL16242750 0.78 GRM2 (0.48) MAPTSMN1; SMN2GRM2CYP2C9CYP2C19
SCHEMBL7390252 0.75 ACHE (0.47) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL29639744 0.75 MEN1 (0.58) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL9720621 0.75 HSP90AB1 (0.48) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL480863 0.75 MEN1 (0.58) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL16242903 0.75 MAPT (0.75) MAPTSMN1; SMN2NPC1RAB9AGRM2
SCHEMBL9878237 0.75 KDM4E (0.38) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL12723861 0.74 ACHE (0.57) RAB9ATDP1ACHE

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-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed