SCHEMBL8776291

SCHEMBL8776291

N=NC1CCCCCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 2/20 0.33
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
TLR4 O00206 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL10760687 1.00 KMT2A (0.46) KMT2ACA1CA2CA4CA6
SCHEMBL8522333 1.00 KMT2A (0.46) KMT2ACA1CA2CA4CA6
SCHEMBL28708985 0.98
SCHEMBL7086241 0.91
SCHEMBL3467293 0.81 KMT2A (0.50) KMT2ACA1CA2CA4CA6
SCHEMBL11154756 0.78 CA1 (0.48) KMT2ACA1CA2CA4CA6
SCHEMBL2632690 0.76
SCHEMBL14537424 0.70 CA1 (0.40) KMT2ACA1CA2CA4MCL1
SCHEMBL6769544 0.67 KMT2A (0.56) KMT2ACA1CA2CA4CA6
SCHEMBL7706356 0.67 KMT2A (0.56) KMT2ACA1CA2CA4CA6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574082-B1 Catalytic procedure for the preparation of organic carbonates ENICHEM SPA (IT) 1997-12-03 EP disclosed
EP-0730631-A1 BLEACHING COMPOSITIONS WARWICK INTERNATIONAL GROUP LIMITED (Company No. 2982784) (GB) 1996-09-11 EP disclosed
US-5457213-A Reacting alcohol, carbon monoxide and oxygen in presence of cobalt-containing catalyst and coadjuvant ENICHEM SYNTHESIS S.P.A. (IT) 1995-10-10 US disclosed
WO-1995014759-A1 BLEACHING COMPOSITIONS WARWICK INTERNATIONAL GROUP LIMITED (GB) 1995-06-01 WO disclosed
EP-0574082-A2 Catalytic procedure for the prepartation of organic carbonates ENICHEM SYNTHESIS S.p.A. (IT) 1993-12-15 EP disclosed
US-4372887-A DIURETIC, ANTITHROMBOGENIC, SMOOTH MUSCLE RELAXANTS MEAD JOHNSON & COMPANY (US) 1983-02-08 US disclosed
US-4259238-A ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-03-31 US disclosed
US-4196212-A DIURETIC, ANTITHROMBOGENIC, SMOOTH MUSCLE RELAXANT, ANTIINFLAMMATORY MEAD JOHNSON & COMPANY (US) 1980-04-01 US disclosed
US-4072675-A DIURETICS, ANTICOAGULANTS, INOTROPIC AGENTS, ANTIINFLAMMATORY AGENTS, ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1978-02-07 US disclosed
US-4049714-A DIURETIC, ANTITHROMBOGENIC, ANTIARRYTHMIC, ANTIINFLAMMATORY, MUSCLE RELAXANTS MEAD JOHNSON & COMPANY (US) 1977-09-20 US disclosed