SCHEMBL6571573

SCHEMBL6571573

CC(C)(C)C(CCc1ccc2ccccc2c1)(C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.59
CYP1A2 P05177 2/20 0.53
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PDPK1 O15530 1/20 0.46
SOX18 P35713 1/20 0.45
CYP2A6 P11509 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
FFAR1 O14842 1/20 0.42
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 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
SCHEMBL5144294 0.82 ALDH1A1 (0.47) SLC13A5HDAC1HDAC8FFAR1
SCHEMBL16595060 0.78 SLC13A5 (0.62) SLC13A5CYP1A2HDAC1HDAC8PDPK1
SCHEMBL22920703 0.77 CYP1A2 (0.55) SLC13A5CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL10508659 0.74 ALDH1A1 (0.47) SLC13A5HDAC1HDAC8
SCHEMBL20067118 0.74 CYP1A2 (0.50) SLC13A5CYP1A2PDPK1CYP2A6CTSB
SCHEMBL4610682 0.74 CYP1A2 (0.50) SLC13A5CYP1A2PDPK1CYP2A6FFAR1
SCHEMBL8298610 0.74 SLC13A5 (0.51) SLC13A5CYP1A2HDAC1HDAC8PDPK1
SCHEMBL11822095 0.74 CYP1A2 (0.52) SLC13A5CYP1A2CYP2A6SIGMAR1
SCHEMBL8939501 0.72 CYP1A2 (0.62) SLC13A5CYP1A2CYP2A6CTSBCTSS
SCHEMBL29982408 0.72 CYP1A2 (0.62) SLC13A5CYP1A2CYP2A6CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224164-B1 HYDROXAMIC ACID DERIVATIVE AS INHIBITOR OF THE FORMATION OF SOLUBLE HUMAN CD23 SMITHKLINE BEECHAM PLC (GB) 2004-12-08 EP disclosed
EP-1089963-B1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2004-06-16 EP disclosed
US-6673965-B1 AUTOIMMUNE DISEASE, INFLAMMATION, ALLERGY; IN-VIVO ABSORPTION BIOAVAILABILITY VIA THE ORAL ROUTE; DEPROTECTING, REACTING WITH HYDROXYLAMINE; N'-(4-(N-HYDROXYAMINO)-3S-ISOPROPOXY-2R-(2-NAPHTHYLMETHYL) SUCCINYL)-S-TERT-LEUCINE METHYLAMIDE SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-06 US disclosed
US-6458779-B1 TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-01 US disclosed
EP-1089963-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2001-04-11 EP disclosed
WO-1999067201-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 1999-12-29 WO disclosed