SCHEMBL3287036

SCHEMBL3287036

CCC(C)(C)c1ccc(Oc2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 10/20 0.53
▸ DPP4 P27487 3/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ BCL2 P10415 7/20 0.41
▸ BCL2L1 Q07817 4/20 0.41
▸ ANPEP P15144 3/20 0.40
▸ PRMT1 Q99873 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL993935 0.91 MCL1 (0.44) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL3289495 0.90 MCL1 (0.44) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL1518018 0.87 DPP4 (0.42) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL14003735 0.86 MCL1 (0.40) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL14003734 0.86 MCL1 (0.40) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL14003739 0.84 ANPEP (0.45) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL3284746 0.84 MCL1 (0.52) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL6512039 0.84 ANPEP (0.41) MCL1DPP4NR1H2NR1H3BCL2
SCHEMBL3285110 0.84 MCL1 (0.56) MCL1NR1H3BCL2PRMT1LMNA
SCHEMBL14003757 0.83 ANPEP (0.56) MCL1DPP4NR1H2NR1H3BCL2

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-7714044-B2 Use of 4-cyano-naphthalene-1, 8-dicarboximide derivatives and related compounds to protect organic material from the damaging effects of light BASF AKITENGESELLSCHAFT (DE) 2010-05-11 — — US disclosed
EP-1687278-B1 USE OF 4-CYANO-NAPHTHALENE-1, 8-DICARBOXIMIDE DERIVATIVES AND RELATED COMPOUNDS TO PROTECT ORGANIC MATERIAL FROM THE DAMAGING EFFECTS OF LIGHT BASF SE (DE) 2009-03-11 — — EP disclosed
US-20070100033-A1 Use of 4-cyano-naphthalene-1, 8-dicarboximide derivatives and related compounds to protect organic material from the damaging effects of light BAST AKTIENGESELLSCHAFT (DE) 2007-05-03 — — US disclosed
Send feedback