SCHEMBL3929909

SCHEMBL3929909

CCC(c1ccc(O)cc1)C(NS(=O)(=O)c1ccccc1Br)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
DRD1 P21728 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
SCHEMBL3928965 0.83 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1TDP1LMNA
SCHEMBL7754836 0.81 ESR1 (0.51) TDP1LMNAESR1CYP1A2PGR
SCHEMBL3923620 0.81 MMP2 (0.56) SLC1A3SLC1A2SLC1A1ADAMTS4
SCHEMBL3924479 0.80 ADAMTS4 (0.63) SLC1A3SLC1A2SLC1A1ADAMTS4
SCHEMBL3926874 0.77 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1TDP1LMNA
SCHEMBL3936338 0.76 MMP2 (0.56) SLC1A3SLC1A2SLC1A1CYP1A2CYP3A4
SCHEMBL3927814 0.75 NR3C1 (0.57) POLBPGR
SCHEMBL3935028 0.74 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1LMNAMAPT
SCHEMBL3924116 0.73 NPSR1 (0.65) POLBSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL3927049 0.72 SLC1A2 (0.51) SLC1A2TDP1LMNAESR1CYP1A2

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