SCHEMBL8830902

SCHEMBL8830902

COc1ccc(OC(C)=O)c(C(=O)Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 2/20 0.54
BACE1 P56817 1/20 0.53
POLB P06746 2/20 0.51
ALDH1A1 P00352 3/20 0.49
CFD P00746 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL11330589 0.90 KDM4E (0.57) MAPTHTTKMT2ABACE1POLB
SCHEMBL805920 0.87 KDM4E (0.58) MAPTHTTNPSR1KMT2ABACE1
SCHEMBL27792264 0.86 MAPT (0.67) MAPTHTTNPSR1KMT2ABACE1
SCHEMBL27946281 0.86 MAPT (0.64) MAPTHTTNPSR1KMT2ABACE1
SCHEMBL24001 0.86 MAPT (0.66) MAPTHTTNPSR1KMT2APOLB
SCHEMBL1318999 0.85 CFD (0.67) MAPTHTTNPSR1KMT2ABACE1
SCHEMBL8897950 0.81 MAPT (0.49) MAPTHTTNPSR1KMT2ABACE1
SCHEMBL11793587 0.80 BACE1 (0.61) MAPTHTTNPSR1KMT2ABACE1
SCHEMBL3382142 0.79 CFD (0.54) MAPTALDH1A1CFDLMNASMN1; SMN2
SCHEMBL12950694 0.79 BACE1 (0.56) MAPTHTTNPSR1KMT2ABACE1

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
US-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 US disclosed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-4024160-A Substituted 2-amino chromones and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1977-05-17 US disclosed
US-3932466-A Substituted 2-amino chromones and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1976-01-13 US disclosed