SCHEMBL7754836

SCHEMBL7754836

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
AR P10275 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL3926874 0.81 SLC1A3 (0.56) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL3929909 0.81 POLB (0.46) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL3923620 0.80 MMP2 (0.56) ADAMTS4MEN1KMT2AL3MBTL1
SCHEMBL3936338 0.80 MMP2 (0.56) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL3924479 0.79 ADAMTS4 (0.63) ADAMTS4
SCHEMBL3927814 0.79 NR3C1 (0.57) PGR
SCHEMBL3935028 0.79 SLC1A3 (0.59) LMNAMAPTADAMTS4HSD17B10MEN1
SCHEMBL3928965 0.78 SLC1A3 (0.40) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL5580175 0.77 ESR1 (0.49) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL3927049 0.75 SLC1A2 (0.51) ESR1LMNACYP1A2PGRCHRM2

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 4 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-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