SCHEMBL6799411

SCHEMBL6799411

C=C(Cl)Cc1c(OC(=O)CCC)ccc2c(C)cc(=O)oc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.57
KMT2A Q03164 8/20 0.57
GAA P10253 8/20 0.57
HPGD P15428 6/20 0.57
HSD17B10 Q99714 6/20 0.57
GLA P06280 4/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 8/20 0.53
PAX8 Q06710 1/20 0.53
ALDH1A1 P00352 11/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.46
MCL1 Q07820 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FHIT P49789 1/20 0.43

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
SCHEMBL6799413 0.83 KDM4E (0.64) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL12987943 0.80 KDM4E (0.65) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL8369419 0.77 KDM4E (0.55) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL11066632 0.75 KDM4E (0.61) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL14756285 0.74 KDM4E (0.62) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL12988158 0.72 KDM4E (0.79) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL6991771 0.71 KDM4E (0.62) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL11193363 0.71 KDM4E (0.68) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL11384270 0.70 SRD5A1 (0.67) KDM4EKMT2AGAAHPGDHSD17B10
SCHEMBL8876001 0.70 KDM4E (0.76) KDM4EKMT2AGAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680025-B2 PREVENTING CARRYOVER CONTAMINATION USING PSORALENS AND ISOPSORALENS CERUS CORPORATION 2004-01-20 US disclosed
US-20030170141-A1 Device and method for photoactivation CERUS CORPORATION (US) 2003-09-11 US disclosed
US-6461567-B1 FOR CONTROLLING CARRYOVER USING PSORALENS WHICH INTERCALATE BETWEEN BASE PAIRS OF DOUBLE-STRANDED NUCLEIC ACIDS, FORMING COVALENT ADDUCTS TO PYRIMIDINE BASES UPON ABSORPTION OF ULTRAVIOLET LIGHT CERUS CORPORATION 2002-10-08 US disclosed
US-20020044885-A1 Device and method for photoactivation HEARST DAVID PAUL (US) 2002-04-18 US disclosed
US-6258319-B1 FOR PHOTOACTIVATING NEW AND KNOWN COMPOUNDS; FOR BINDING COMPOUNDS TO NUCLEIC ACID CERUS CORPORATION 2001-07-10 US disclosed
EP-0497921-B1 METHOD FOR INHIBITING ENZYMATIC SYNTHESIS OF NUCLEIC ACIDS USING ISOPSORALENS ISAACS STEPHEN T (US) 1999-05-19 EP disclosed
EP-0890363-A2 A device for nucleic acid sterilization ISAACS, Stephen T. (US) 1999-01-13 EP disclosed
US-5854967-A Device and method for photoactivation CERUS CORPORATION (US) 1998-12-29 US disclosed
US-5683661-A ELECTROMAGNETIC RADIATION, SUPPORTING A SAMPLE IN OPAQUE HOUSING CERUS CORPORATION (US) 1997-11-04 US disclosed
US-5503721-A IRRADIATING SAMPLE VESSEL WHILE HOLDING IN FIXED POSITION HRI RESEARCH, INC. (US) 1996-04-02 US disclosed
US-5221608-A Adding a polymerase and an isopsoralen compound to a mixture of nucleic acid and amplification reagents, and exposing to ultraviolet radiation to form isopsoralen monoadduct which inhibits polymerase STERITECH, INC. 1993-06-22 US disclosed
US-5184020-A For treating photoreactive compounds STERITECH, INC. 1993-02-02 US disclosed
US-5139940-A Isopsoralen derives; complex with nucleic acids STERITECH, INC. 1992-08-18 US disclosed