SCHEMBL14775320

SCHEMBL14775320

Oc1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
CA3 P07451 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1276100 0.98 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276500 0.98 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276656 0.80 MAPT (0.38) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276641 0.80 MAPT (0.38) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276192 0.76 ALOX5 (0.52) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276191 0.76 ALOX5 (0.52) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276102 0.74 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL1276170 0.74 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EALOX15CA2
SCHEMBL143876 0.69 ALDH1A1 (0.50) ALDH1A1HPGDCA2CA4HSD17B10
Benzene SCHEMBL31091106 0.69 ALDH1A1 (0.50) ALDH1A1HPGDCA2CA4HSD17B10

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-2570472-A1 LUBRICATING OIL COMPOSITION Mitsui Chemicals, Inc. (JP) 2013-03-20 EP disclosed