SCHEMBL8058716

SCHEMBL8058716

O=C1CCC(=O)N1c1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.67
CA1 P00915 3/20 0.67
CA9 Q16790 3/20 0.67
KMT2A Q03164 7/20 0.61
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.46
CA2 P00918 2/20 0.46
MEN1 O00255 2/20 0.46
SCN2A Q99250 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL12261669 0.87 CA12 (0.70) CA12CA1CA9KMT2AHSD17B10
SCHEMBL370611 0.81 KMT2A (0.64) CA12CA1CA9KMT2AHSD17B10
SCHEMBL458085 0.80 CA12 (1.00) CA12CA1CA9KMT2AHSD17B10
SCHEMBL6705392 0.78 DDAH1 (0.66) CA12CA1CA9ALDH1A1MAPK1
SCHEMBL11478927 0.78 CA12 (0.67) CA12CA1CA9KMT2AALDH1A1
SCHEMBL29249691 0.74 KMT2A (0.54) CA12CA1CA9KMT2AHSD17B10
SCHEMBL368155 0.74 CA12 (0.69) CA12CA1CA9KMT2AHSD17B10
SCHEMBL27893066 0.74 CA12 (0.69) CA12CA1CA9KMT2AHSD17B10
SCHEMBL17281692 0.73 MGLL (0.65) CA12CA1CA9KMT2AALDH1A1
SCHEMBL8965241 0.73 HSP90AA1 (0.65) CA12CA1CA9KMT2AHSD17B10

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-1000081-A2 A REVERSIBLE STOICHIOMETRIC PROCESS FOR CONJUGATING BIOMOLECULES KÖSTER, Hubert (US) 2000-05-17 EP disclosed
WO-1998033808-A2 A REVERSIBLE STOICHIOMETRIC PROCESS FOR CONJUGATING BIOMOLECULES KOSTER HUBERT (US) 1998-08-06 WO disclosed
US-5410068-A Protecting groups for natural products PERSEPTIVE BIOSYSTEMS, INC. (US) 1995-04-25 US disclosed