SCHEMBL7972867

SCHEMBL7972867

Cc1ccccc1/C=C\CCC1OC(=O)C(O)=C1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8179854 1.00 KDM4E (0.35) KDM4EMEN1KMT2ACA1CA2
SCHEMBL7973126 0.81 KDM4E (0.40) KDM4EALDH1A1POLBMAPT
SCHEMBL8775295 0.70 TRPV1 (0.45) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL8775359 0.70 TRPV1 (0.45) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL8775675 0.70 ABHD16A (0.45) KMT2AALDH1A1TSHRPOLBBLM
SCHEMBL8775255 0.70 ABHD16A (0.45) KMT2AALDH1A1TSHRPOLBBLM
SCHEMBL8775459 0.70 ABHD16A (0.45) KMT2AALDH1A1TSHRPOLBBLM
SCHEMBL17867043 0.66 ALDH1A1 (0.46) KDM4EALDH1A1PTGER1PTGER4PTGER3
SCHEMBL29962896 0.66 ALDH1A1 (0.46) KDM4EALDH1A1PTGER1PTGER4PTGER3
SCHEMBL17867041 0.66 ALDH1A1 (0.46) KDM4EALDH1A1PTGER1PTGER4PTGER3

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
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
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