SCHEMBL11510792

SCHEMBL11510792

Oc1ccccc1C(c1ccccc1O)C(Br)C(Br)C(c1ccccc1O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
TSHR P16473 2/20 0.46
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 4/20 0.43
POLB P06746 3/20 0.43
CA2 P00918 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
MAPT P10636 2/20 0.43
MMP9 P14780 2/20 0.43
CA4 P22748 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL133407 0.84 GABRA1 (0.62) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL30194816 0.84 GABRA1 (0.62) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL11611313 0.79 GABRA1 (0.56) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL7623488 0.77 GABRA1 (0.54) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL11125456 0.75 GABRA1 (0.52) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL11510892 0.75 GABRA1 (0.52) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL671174 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL990718 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL30195663 0.73 GABRA1 (0.62) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL29407501 0.73 GABRA1 (0.62) GABRA1GABRB2TSHRALDH1A1ALOX15

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-4144027-A SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE MILLIKEN RESEARCH CORPORATION (US) 1979-03-13 US disclosed