SCHEMBL6664482

SCHEMBL6664482

CCCCOc1ccc(B(O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.59
PCSK9 Q8NBP7 2/20 0.50
ORAI1 Q96D31 2/20 0.50
ORAI2 Q96SN7 2/20 0.50
ORAI3 Q9BRQ5 2/20 0.50
TRPV6 Q9H1D0 2/20 0.50
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL2403555 0.91 KCNA3 (0.58) LTA4HPCSK9ORAI1ORAI2ORAI3
SCHEMBL623764 0.81 CA1 (0.57) LTA4HNR5A1TP53TSHR
Methyl Alcohol SCHEMBL27471432 0.81 LTA4H (0.80) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL1331014 0.80 LTA4H (0.87) LTA4HMLNRNR1I2ESR1NR3C1
Benzene SCHEMBL28132981 0.80 LTA4H (0.87) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL36192 0.80 LTA4H (0.87) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL6898318 0.79 NR5A1 (0.58) LTA4HNR5A1LMNATP53TSHR
SCHEMBL22319104 0.78 LTA4H (0.83) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL28386097 0.78 LTA4H (0.83) LTA4HMLNRNR1I2ESR1NR3C1
Phosphine SCHEMBL28317749 0.78 LTA4H (0.83) LTA4HMLNRNR1I2ESR1NR3C1

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
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP disclosed