SCHEMBL9780464

SCHEMBL9780464

BrC1(Oc2ccccc2)C=CC=C(Oc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL548074 0.69 LTA4H (0.30) LTA4HTSHR
SCHEMBL20270422 0.64 LTA4H (0.43) LTA4HTSHR
SCHEMBL17706700 0.61 LTA4H (0.38) LTA4HTSHRCA1CA2
SCHEMBL17414785 0.61 LTA4H (0.42) LTA4HTSHRCA1CA2
SCHEMBL19299976 0.61 LTA4H (0.42) LTA4HTSHRCA1CA2
Diphenylether SCHEMBL3394132 0.60 LTA4H (0.92) LTA4HTSHRCA1CA2
Diphenylether SCHEMBL27721571 0.60 LTA4H (0.92) LTA4HTSHRCA1CA2
SCHEMBL12332681 0.59 LTA4H (0.58) LTA4HTSHRCA1CA2
Tannin Pyrogallol SCHEMBL14761858 0.59 LTA4H (0.39) LTA4HTSHRCA1CA2
SCHEMBL9780472 0.58 LTA4H (0.41) LTA4HTSHRCA1CA2

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-4981890-A POLYHALOAROMATIC AND AROMATIC BIS-SULFONAMIDE ETHYL CORPORATION (US) 1991-01-01 US disclosed