SCHEMBL7124976

SCHEMBL7124976

C=CCc1c(N)oc2cc3oc(=O)c(C)c(C)c3c(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A2 O94788 2/20 0.33
ALDH1B1 P30837 2/20 0.33
ALDH1A3 P47895 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32
SRC P12931 1/20 0.31

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
SCHEMBL698745 0.78 ALDH2 (0.45) ALDH2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10548888 0.65 ALDH2 (0.45) ALDH2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17525029 0.64 ALDH2 (0.59) ALDH2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7598443 0.64 ALDH2 (0.44) ALDH2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9277301 0.63 ALDH2 (0.63) ALDH2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17403165 0.63 HSD17B3 (0.48) NPSR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1319676 0.62 ALDH2 (0.53) ALDH2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5478821 0.62 VKORC1 (0.51) NPSR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL27907872 0.61 ALDH2 (0.47) ALDH2NPSR1KDM4EALDH1A1HSD17B10
SCHEMBL11003756 0.61 KDM4E (0.40) NPSR1KDM4EALDH1A1HSD17B10HPGD

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 16 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
EP-0497921-A4 ISAACS STEPHEN T (US) 1995-06-28 EP 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
EP-0497921-A1 ACTIVATION COMPOUNDS AND METHODS FOR NUCLEIC ACID STERILIZATION ISAACS, Stephen T. (US) 1992-08-12 EP disclosed
WO-1991006665-A1 ACTIVATION COMPOUNDS AND METHODS FOR NUCLEIC ACID STERILIZATION ISAACS STEPHEN T (US) 1991-05-16 WO disclosed