SCHEMBL7990823

SCHEMBL7990823

CCCCCSCc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
CES2 O00748 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 5/20 0.33
ACHE P22303 5/20 0.33
CA2 P00918 1/20 0.32
PTPN1 P18031 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
SCHEMBL11598762 0.98 ESR1 (0.36) TYRESR1ESR2LMNAMAPT
SCHEMBL2900804 0.94 KDM4E (0.35) TYRLMNAMAPTTP53ALOX12
SCHEMBL2893934 0.86 CYP2C19 (0.34) TYRLMNACYP2C9ALDH1A1
SCHEMBL8999593 0.86 TYR (0.41) TYRESR1ESR2LMNAMAPT
SCHEMBL6075249 0.84 ESR1 (0.42) TYRESR1ESR2LMNAMAPT
SCHEMBL29388293 0.84 ESR1 (0.42) TYRESR1ESR2LMNAMAPT
SCHEMBL16892542 0.81 ESR1 (0.43) ESR1ESR2LMNATP53HSD17B10
SCHEMBL16892530 0.81 ESR1 (0.43) ESR1ESR2LMNATP53HSD17B10
SCHEMBL16892576 0.81 ESR1 (0.39) ESR1ESR2LMNAMAPTTP53
SCHEMBL1998940 0.80 CYP2C19 (0.50) LMNAMAPTTP53ALOX12HTT

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