SCHEMBL6513078

SCHEMBL6513078

CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)c2ccc3c4cccc5cccc(c6ccc(C(=O)O)c2c63)c54)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.42
▸ NR1H4 Q96RI1 10/20 0.41
▸ PPARG P37231 7/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ GFER P55789 2/20 0.39
▸ SERPINE1 P05121 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ PRSS12 P56730 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP6 P55212 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
SCHEMBL8878909 1.00 MAPK14 (0.42) MAPK14NR1H4PPARGHSD17B10PPARD
SCHEMBL1643719 0.96 MAPK14 (0.45) MAPK14NR1H4PPARGPPARDKDM4E
SCHEMBL1628380 0.86 MAPK14 (0.38) MAPK14NR1H4PPARGHSD17B10PPARD
SCHEMBL8892902 0.82 BTK (0.38) NR1H4SERPINE1KDM4EMAPK1MEN1
SCHEMBL6521563 0.77 NR1H4 (0.43) MAPK14NR1H4PPARGPPARDGFER
SCHEMBL6756950 0.77 MAPK14 (0.48) MAPK14KDM4ENPSR1MEN1POLB
SCHEMBL5013031 0.76 MAPK14 (0.47) MAPK14KDM4ENPSR1MEN1POLB
SCHEMBL6512030 0.73 NR1H4 (0.39) MAPK14NR1H4PPARGPPARDGFER
SCHEMBL8885239 0.73 DHPS (0.47) NPSR1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL30423759 0.73 HSD17B10 (0.57) HSD17B10KDM4EMEN1POLBKMT2A

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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