SCHEMBL6637261

SCHEMBL6637261

CC(C)(C)C(=O)NNc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.62
ALOX5 P09917 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
PTGS2 P35354 1/20 0.53
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CRHR1 P34998 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL3823901 0.81 GAA (0.57) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL13619073 0.81 GAA (0.56) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL2231647 0.79 GAA (0.58) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL9771265 0.79 L3MBTL1 (0.59) CYP3A4TSHRCYP2C19KDM4EALDH1A1
SCHEMBL83110 0.78 L3MBTL1 (0.78) TSHRALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6638890 0.78 LMNA (0.55) GAAALOX12CYP2C19KDM4EALDH1A1
SCHEMBL19318495 0.78 TSHR (0.58) GAACYP3A4TSHRCYP2C19KDM4E
SCHEMBL2887835 0.77 PTGS2 (0.57) GAAKDM4EALDH1A1SMN1; SMN2PTGS2
SCHEMBL10117694 0.77 GAA (0.56) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL10172577 0.76 ALOX5 (0.57) GAAALOX5CYP3A4TSHRALOX12

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
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP disclosed