SCHEMBL27832320

SCHEMBL27832320

[AlH3].[c]1ccc(Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.63
TSHR P16473 1/20 0.63
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAOA P21397 1/20 0.48
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MAOB P27338 1/20 0.43
GSTP1 P09211 1/20 0.40
SOS1 Q07889 1/20 0.40
CA9 Q16790 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PLA2G2A P14555 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
Water SCHEMBL28744175 0.97 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL49434 0.97 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27870037 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27736985 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27737034 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL8535186 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27917515 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL27824058 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL28807910 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
Magnesium Chloride Anhydrous SCHEMBL28223599 0.88 LTA4H (0.55) LTA4HTSHRNR1H2BAXMAOA

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
CN-102349115-A Electrically conductive polymer compositions for coating applications DU PONT 2012-02-08 CN disclosed