SCHEMBL4010440

SCHEMBL4010440

O=C(CCl)c1cccc(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
PTPN1 P18031 5/20 0.43
FOLH1 Q04609 3/20 0.43
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 2/20 0.42
TRPA1 O75762 1/20 0.42
MAPK1 P28482 1/20 0.42
GSK3B P49841 1/20 0.42
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL200212 0.85 TSHR (0.59) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL343520 0.83 TSHR (0.57) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL5202410 0.75 BID (0.66) PTPN1PTPN2PTPN6BIDBCL2L1
SCHEMBL6395025 0.75 TSHR (0.56) TSHRALDH1A1HIF1ACA1CA2
SCHEMBL23003 0.74 TSHR (0.79) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL23708 0.74 FOLH1 (0.50) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL31090800 0.74 FOLH1 (0.50) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL29367715 0.74 FOLH1 (0.50) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL11322877 0.73 TSHR (0.45) TSHRPTPN1FOLH1PTPN2PTPN6
SCHEMBL7642750 0.73 TSHR (0.57) TSHRPTPN1FOLH1PTPN2PTPN6

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
WO-2009080744-A1 CRYSTALLINE FORM OF AZELASTINE Esteve Química, S.A. (ES) 2009-07-02 WO disclosed