SCHEMBL6512030

SCHEMBL6512030

CC(C)(C)c1ccc(Oc2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc(C(=O)O)c5c(C(=O)Nc6cc(C(C)(C)C)ccc6C(C)(C)C)cc(Oc6ccc(C(C)(C)C)cc6)c(c6cccc2c36)c54)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.39
▸ PPARG P37231 5/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PYGL P06737 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
SCHEMBL6521464 0.82 POLB (0.43) NR1H4PPARGPPARAPPARDGPBAR1
SCHEMBL6521563 0.79 NR1H4 (0.43) NR1H4PPARGPPARAPPARDGPBAR1
SCHEMBL7988628 0.75 DHODH (0.46) NR1H4PPARGPKMKDM4EMAPT
SCHEMBL19064588 0.75 KMT2A (0.44) NR1H4PPARGPPARAPPARDGPBAR1
SCHEMBL28647685 0.74 DHODH (0.43) NR1H4PPARGPPARAPKMKDM4E
SCHEMBL17923575 0.74 XDH (0.46) NR1H4PKMKDM4EMAPTMEN1
SCHEMBL8878909 0.73 MAPK14 (0.42) NR1H4PPARGPPARAPPARDGPBAR1
SCHEMBL6513078 0.73 MAPK14 (0.42) NR1H4PPARGPPARAPPARDGPBAR1
SCHEMBL1643719 0.71 MAPK14 (0.45) NR1H4PPARGPPARDMAPK14KDM4E
SCHEMBL6512028 0.70 MCL1 (0.38) MAPTLMNAKMT2AL3MBTL1MAPK1

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 2 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
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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