SCHEMBL3937692

SCHEMBL3937692

CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)NS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.47
BACE1 P56817 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
F2 P00734 1/20 0.41
ALPL P05186 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.40
TYMS P04818 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL8651259 0.74 BACE1 (0.57) BACE1HTTALDH1A1POLBMMP1
SCHEMBL8651263 0.74 BACE1 (0.57) BACE1HTTALDH1A1POLBMMP1
SCHEMBL3937698 0.74 ALDH1A1 (0.41) PSMB5HTTMAPTALDH1A1MEN1
SCHEMBL3936334 0.72 BACE1 (0.68) BACE1ALDH1A1MEN1KMT2AMMP2
SCHEMBL3937706 0.72 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3937703 0.72 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL6549235 0.71 ALPL (0.49) MAPTALDH1A1KMT2AF2ALPL
SCHEMBL3927449 0.70 BACE1 (0.57) BACE1HTTMAPTALDH1A1MEN1
SCHEMBL7751203 0.70 BACE1 (0.57) BACE1HTTMAPTALDH1A1MEN1
SCHEMBL17988514 0.69 P2RX7 (0.47) ALDH1A1MEN1KMT2APOLBGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076557-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-21 EP claimed
WO-1999055324-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
EP-1076557-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-21 EP disclosed
WO-1999055324-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed