SCHEMBL5498337

SCHEMBL5498337

CC(C)c1cc(B(O)O)cc(C(C)C)c1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB1 P18505 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.36
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
ENPP2 Q13822 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MGLL Q99685 2/20 0.33
ESR1 P03372 1/20 0.32

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
SCHEMBL5493151 0.81 GABRA1 (0.44) GABRA1GABRB1LMNAHTTGAA
SCHEMBL18489441 0.80 LMNA (0.50) GABRA1GABRB1LMNAHTTGAA
SCHEMBL5503020 0.79 CA4 (0.39) LMNAHTTGAACA4CA6
SCHEMBL5497406 0.75 CES2 (0.36) GAACA4CA6CA5ACA7
SCHEMBL1638850 0.73 SMN1; SMN2 (0.43) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL12646934 0.73 SMN1; SMN2 (0.43) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL1638849 0.73 SMN1; SMN2 (0.43) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL5590401 0.71 GABRA1 (0.37) GABRA1GABRB1LMNAHTTGAA
SCHEMBL16077915 0.71 GABRA1 (0.37) GABRA1GABRB1LMNAHTTGAA
SCHEMBL5588856 0.70 GABRA1 (0.36) GABRA1GABRB1LMNAHTTGAA

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-7244805-B2 Bimetallic zinc complex and process of producing polycarbonate using the same as polymerization catalyst LG CHEM LTD. (KR) 2007-07-17 US disclosed
US-20060135743-A1 Bimetallic zinc complex and process of producing polycarbonate using the same as polymerization catalyst LG CHEM LTD. (KR) 2006-06-22 US disclosed
WO-2006065001-A1 BIMETALLIC ZINC COMPLEX AND PROCESS OF PRODUCING POLYCARBONATE USING THE SAME AS POLYMERIZATION CATALYST LG CHEM. LTD. (KR) 2006-06-22 WO disclosed