SCHEMBL6521563

SCHEMBL6521563

CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)c2cc(Br)c3c4cccc5c(Br)ccc(c6c(Br)cc(C(=O)O)c2c63)c54)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 12/20 0.43
▸ PPARG P37231 11/20 0.43
▸ PPARA Q07869 4/20 0.43
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SERPINE1 P05121 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PRSS12 P56730 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ TAS2R14 Q9NYV8 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
SCHEMBL6512030 0.79 NR1H4 (0.39) NR1H4PPARGPPARAKMT2AKDM4E
SCHEMBL6513078 0.77 MAPK14 (0.42) NR1H4PPARGPPARAKMT2AKDM4E
SCHEMBL8878909 0.77 MAPK14 (0.42) NR1H4PPARGPPARAKMT2AKDM4E
SCHEMBL2240325 0.77 HDAC8 (0.46) NR1H4PPARGPPARAKMT2ATP53
SCHEMBL1643719 0.74 MAPK14 (0.45) NR1H4PPARGKMT2AKDM4EMEN1
SCHEMBL1628380 0.70 MAPK14 (0.38) NR1H4PPARGKMT2AKDM4EMAPK1
SCHEMBL29141581 0.69 KMT2A (0.46) KMT2AKDM4ENPSR1MEN1RAB9A
SCHEMBL30681836 0.69 KMT2A (0.46) KMT2AKDM4ENPSR1MEN1RAB9A
SCHEMBL8892902 0.69 BTK (0.38) NR1H4KMT2AKDM4EMAPK1SERPINE1
SCHEMBL6289916 0.66 KMT2A (0.46) KMT2AMEN1POLBSMN1; SMN2

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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