SCHEMBL2514673

SCHEMBL2514673

COc1ccc(CNc2ccccc2OC(C)(C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.58
▸ PPARG P37231 3/20 0.58
▸ PPARD Q03181 3/20 0.58
▸ HIF1A Q16665 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ASPH Q12797 1/20 0.46
▸ RIOX2 Q8IUF8 1/20 0.46
▸ KDM8 Q8N371 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL2516939 0.90 PPARG (0.56) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL2515848 0.87 PPARA (0.50) PPARAPPARGPPARDALDH1A1NPC1
SCHEMBL2514424 0.87 ALDH1A1 (0.46) PPARAPPARGPPARDALDH1A1NPC1
SCHEMBL2518715 0.86 PPARA (0.50) PPARAPPARGPPARDALDH1A1RAB9A
SCHEMBL2517703 0.81 SSTR3 (0.51) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL1505239 0.76 ALDH1A1 (0.68) HIF1AALDH1A1NPC1RAB9AKDM4E
SCHEMBL8366816 0.74 HDAC1 (0.58) HIF1AALDH1A1NPC1RAB9AHDAC1
SCHEMBL21370442 0.74 PPARA (1.00) PPARAPPARGPPARDHIF1A
SCHEMBL12017475 0.73 KDM4E (0.57) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL12725538 0.73 HIF1A (0.53) HIF1AALDH1A1NPC1RAB9AHDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 — — US disclosed
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