SCHEMBL7990820

SCHEMBL7990820

CCCCCSCc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TYR P14679 1/20 0.34
SOAT1 P35610 9/20 0.33
PTGS2 P35354 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11567924 0.95 KDM4E (0.38) KDM4ETDP1SOAT1PTGS2ALDH1A1
SCHEMBL11567389 0.87
SCHEMBL1986545 0.80 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL7625041 0.79 CYP1A2 (0.32)
SCHEMBL7771860 0.77 TDP1 (0.33) KDM4ETDP1ALDH1A1NPSR1
SCHEMBL22715 0.76 MAP2K7 (0.34) ALDH1A1
SCHEMBL83982 0.76 KCNH2 (0.42) KDM4ETDP1PTGS2ESR1ALDH1A1
SCHEMBL3673115 0.74 KCNH2 (0.46) KDM4EPTGS2ESR1ALDH1A1
SCHEMBL258262 0.74 KCNH2 (0.46) KDM4EPTGS2ESR1ALDH1A1
SCHEMBL151723 0.74 KCNH2 (0.46) KDM4EPTGS2ESR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed