SCHEMBL7533166

SCHEMBL7533166

BO.CC(C)(O)C(C)(C)O.CC(C)(O)C(C)(C)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.36
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
PPARG P37231 5/20 0.34
LTA4H P09960 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
PPARA Q07869 3/20 0.33
CYP2C19 P33261 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL1022162 0.91 CA4 (0.39) CA4LMNACYP2D6ALDH1A1ALOX15
SCHEMBL27617060 0.91 CA4 (0.39) CA4LMNACYP2D6ALDH1A1ALOX15
SCHEMBL28993181 0.88 CA4 (0.36) CA4LMNACYP2D6ALDH1A1ALOX15
Boric Acid SCHEMBL28167570 0.88 CA1 (0.36) CA4LMNACYP2D6ALDH1A1ALOX15
Boric Acid SCHEMBL28318217 0.86 CA1 (0.35) CA4LMNACYP2D6ALDH1A1ALOX15
SCHEMBL28993166 0.77 NPC1 (0.40) LMNAALDH1A1PPARGTSHRPPARA
SCHEMBL26340479 0.76 LTA4H (0.43) CA4LMNAALDH1A1ALOX15PPARG
SCHEMBL675061 0.75 CA4 (0.43) CA4LMNACYP2D6ALDH1A1ALOX15
SCHEMBL12359993 0.75 CA4 (0.43) CA4LMNACYP2D6ALDH1A1ALOX15
SCHEMBL693241 0.75 CA4 (0.43) CA4LMNACYP2D6ALDH1A1ALOX15

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-20020173571-A1 SYNTHESIS AND USE OF NON-HALOGENATED AROMATIC COMPOUNDS AS FLAME RETARDANTS FOR POLYMER-CONTAINING MATERIALS SOUTH CAROLINA, UNIVERSITY OF 2002-11-21 US disclosed