SCHEMBL7973267

SCHEMBL7973267

O=C1CCC(=O)N1OS(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 4/20 0.65
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 7/20 0.49
MAPT P10636 7/20 0.49
KMT2A Q03164 6/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 4/20 0.42
F2 P00734 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
VDR P11473 3/20 0.42
XBP1 P17861 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
AKR1B1 P15121 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL7973261 0.79 PARL (1.00) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL64964 0.78 PARL (1.00) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL2962362 0.78 PARL (0.62) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL65216 0.75 PARL (0.58) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL7161148 0.75 PARL (0.58) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL6387869 0.74 PARL (0.47) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL452741 0.74 PARL (0.57) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL29369615 0.74 PARL (0.57) PARLALDH1A1KDM4EMAPTKMT2A
SCHEMBL7652998 0.74 PTGS2 (0.44) ALDH1A1MAPTHPGDHTTAKR1B1
SCHEMBL2963233 0.73 PARL (0.55) PARLALDH1A1KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268108-B1 MIXTURE OF COMPOUND FORMING ACID UPON EXPOSURE OF ACTINIC RADIATION, COMPOUND CAPABLE OF CROSSLINKING, DYE AND SOLVENT TOKYO OHKA KOGYO CO., LTD. (JP) 2001-07-31 US disclosed