SCHEMBL7948321

SCHEMBL7948321

COc1c(O)ccc(CO)c1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
PAX8 Q06710 1/20 0.40
ALOX5 P09917 1/20 0.40
LTA4H P09960 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDH1 O75874 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7274621 0.84 POLB (0.52) POLBSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL874504 0.82 ALOX5 (0.42) BCL2BCL2L1ALOX5CYP3A4
SCHEMBL10748552 0.81 CA2 (0.39) POLBSMN1; SMN2CYP3A4
SCHEMBL11231888 0.78 TRPV1 (0.37) ALOX5
SCHEMBL4486140 0.77 MAPT (0.40) POLBSMN1; SMN2
SCHEMBL7948311 0.77 HNF4A (0.50) SMN1; SMN2HPGD
SCHEMBL7948327 0.77 CA1 (0.53) LTA4HPOLBSMN1; SMN2IDH1
SCHEMBL873591 0.75 CA1 (0.40) ALOX5LTA4HSMN1; SMN2IDH1
SCHEMBL6300999 0.74 HSP90AA1 (0.50) LTA4HMEN1HPGDKMT2A
SCHEMBL29044998 0.74 POLB (0.49) LTA4HPOLBSMN1; SMN2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6261814-B1 MIXING PURIFIED, BIOLOGICALLY-DERIVED REDUCTASE FROM NOCARDIA SPECIES WITH CARBOXYLIC ACID OR DERIVATIVE; PRODUCTION OF VANILLIN FROM VANILLIC ACID UNIVERSITY OF IOWA RESEARCH FOUNDATION 2001-07-17 US disclosed
WO-1998040472-A2 CARBOXYLIC ACID REDUCTASE, AND METHODS OF USING SAME UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-09-17 WO disclosed
US-5795759-A Carboxylic acid reductase, and methods of using same THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-08-18 US disclosed