SCHEMBL11596279

SCHEMBL11596279

O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)cc3-c3ccccc3)cc2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
MAP4K4 O95819 1/20 0.54
PTPRC P08575 2/20 0.53
EGFR P00533 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
RXRA P19793 1/20 0.51
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMO O15229 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3809545 0.96 TTR (0.58) TTRMAP4K4PTPRCEGFRALDH1A1
SCHEMBL2213544 0.96 TTR (0.58) TTRMAP4K4PTPRCEGFRALDH1A1
SCHEMBL36018 0.92 TTR (0.62) TTRPTPRCEGFRALDH1A1POLB
SCHEMBL4620446 0.91 MAP4K4 (0.56) TTRMAP4K4PTPRCEGFRALDH1A1
SCHEMBL28397372 0.91 MAP4K4 (0.59) MAP4K4EGFRRARBRARGRXRA
SCHEMBL29111668 0.91 PTPRC (0.65) TTRMAP4K4PTPRCEGFRALDH1A1
SCHEMBL27867340 0.90 TP53 (0.55) TTRPTPRCEGFRALDH1A1RARB
SCHEMBL21271868 0.89 KMO (0.59) TTRMAP4K4EGFRALDH1A1RARB
SCHEMBL3809549 0.89 KMO (0.63) TTRPTPRCALDH1A1RXRAPOLB
SCHEMBL27883746 0.88 TP53 (0.52) TTRPTPRCEGFRALDH1A1RARB

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-4108835-A Phenylated aromatic heterocyclic polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-08-22 US disclosed