SCHEMBL6633779

SCHEMBL6633779

CCCCC(=O)NNc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.80
GAA P10253 5/20 0.56
P2RX7 Q99572 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 2/20 0.54
RECQL P46063 1/20 0.54
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL11133887 0.95 ALOX5 (0.77) ALOX5GAAP2RX7MEN1KMT2A
SCHEMBL6635826 0.93 ALOX5 (0.75) ALOX5GAAP2RX7MEN1KMT2A
SCHEMBL17548957 0.93 ALOX5 (0.75) ALOX5GAAP2RX7MEN1KMT2A
SCHEMBL11337344 0.93 ALOX5 (0.75) ALOX5GAAP2RX7MEN1KMT2A
SCHEMBL1531522 0.89 ALOX5 (1.00) ALOX5GAAHDAC3HDAC1HDAC2
SCHEMBL30513891 0.89 ALOX5 (0.72) ALOX5GAAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8957363 0.87 ALOX5 (0.96) ALOX5GAAHDAC3HDAC1HDAC2
SCHEMBL28678421 0.84 ALOX5 (0.57) ALOX5GAAP2RX7KMT2APOLB
SCHEMBL10795256 0.84 ALOX5 (0.66) ALOX5GAAMEN1KMT2APOLB
SCHEMBL17183577 0.82 ALOX5 (0.64) ALOX5GAAP2RX7MEN1KMT2A

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