SCHEMBL2650310

SCHEMBL2650310

CCOC(=O)C(C)c1ccc(C=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PRNP P04156 1/20 0.39
ELANE P08246 1/20 0.38
POLB P06746 2/20 0.38
PIN1 Q13526 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL11054382 0.83 TSHR (0.50) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3174498 0.82 ALDH1A1 (0.44) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL27692154 0.77 TSHR (0.45) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25156303 0.76 KMT2A (0.52) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL31360448 0.76 KMT2A (0.52) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL15203285 0.76 KMT2A (0.52) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9028765 0.75 TSHR (0.43) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL28682429 0.74 MEN1 (0.41) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL12930787 0.74 TSHR (0.44) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL363983 0.73 TSHR (0.48) TSHRALDH1A1LMNASMN1; SMN2KMT2A

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed