SCHEMBL6512039

SCHEMBL6512039

CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6ccc(C(C)(C)C)cc6)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ MCL1 Q07820 9/20 0.41
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ BCL2 P10415 4/20 0.36
▸ BCL2L1 Q07817 3/20 0.36
▸ PRMT1 Q99873 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL6513050 0.91 MCL1 (0.40) ANPEPDPP4MCL1BCL2BCL2L1
SCHEMBL14003739 0.91 ANPEP (0.45) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL5369836 0.89 ANPEP (0.39) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL6511854 0.89 MCL1 (0.38) ANPEPDPP4MCL1BCL2BCL2L1
SCHEMBL5014325 0.88 ANPEP (0.45) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003741 0.88 ANPEP (0.54) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL16588500 0.87 ANPEP (0.43) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003750 0.87 ANPEP (0.42) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL6518002 0.86 MCL1 (0.36) ANPEPDPP4MCL1BCL2BCL2L1
SCHEMBL14003753 0.86 ANPEP (0.44) ANPEPDPP4MCL1NR1H2NR1H3

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-6916982-B2 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 — — US disclosed
WO-2003105237-A1 SYNTHESIS OF PERYLENE-PORPHYRIN BUILDING BLOCKS AND POLYMERS THEREOF FOR THE PRODUCTION OF LIGHT-HARVESTING ARRAYS NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-18 — — WO disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 — — US disclosed
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