SCHEMBL3729970

SCHEMBL3729970

[Li]c1ccccc1N1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
MAPK1 P28482 3/20 0.57
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
ALOX12 P18054 1/20 0.44
MAP2K1 Q02750 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PTGS2 P35354 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
NCF1 P14598 2/20 0.41
PRKDC P78527 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL3725948 1.00 KEAP1 (0.59) KEAP1MAPK1GAANPC1HPGD
SCHEMBL3727593 0.98 KEAP1 (0.56) KEAP1MAPK1GAANPC1HPGD
SCHEMBL27934132 0.85 MAPK1 (0.74) KEAP1MAPK1GAANPC1HPGD
SCHEMBL26219177 0.82 MAPK1 (0.70) KEAP1MAPK1GAANPC1HPGD
SCHEMBL28282917 0.81 GAA (0.50) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL16752537 0.77 ADRB1 (0.64) HPGDMAPTALDH1A1NCF1KDM4E
SCHEMBL10893618 0.76 ADRB1 (0.63) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL9655124 0.76 ADRB1 (0.63) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL3021427 0.74 KEAP1 (0.57) KEAP1MAPK1GAANPC1HPGD
SCHEMBL73609 0.74 KEAP1 (1.00) KEAP1MAPK1GAANPC1L3MBTL1

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-7825203-B2 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2010-11-02 US disclosed
US-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 US disclosed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 EP disclosed