SCHEMBL26059142

SCHEMBL26059142

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
PPARG P37231 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPRT1 P00492 3/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL26068845 0.93 MCL1 (0.33) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL26059124 0.93 HPRT1 (0.31) MCL1ACMSDCA12CA1CA2
SCHEMBL26059284 0.93 MCL1 (0.33) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL25089181 0.93 CA12 (0.36) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL26059178 0.93 HPRT1 (0.36) HPRT1SLC6A2SLC6A4CYP2C9CYP2C19
SCHEMBL26060860 0.92 MCL1 (0.32) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL26059159 0.92 CHRNA1 (0.35) MCL1ACMSDCHRNB4CHRNA3HPRT1
SCHEMBL26059678 0.92 MCL1 (0.33) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL26060252 0.92 MCL1 (0.33) MCL1ACMSDENPP3ENPP1CHRNB4
SCHEMBL26059125 0.92 HPRT1 (0.33) HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed