SCHEMBL16431316

SCHEMBL16431316

O=c1c(O)ccccc1Sc1ccccc(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 3/20 0.44
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 2/20 0.43
APEX1 P27695 2/20 0.43
RECQL P46063 2/20 0.43
RAB9A P51151 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 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
SCHEMBL11205285 0.78 ALOX15 (0.53) DBHMMP2ALDH1A1ALOX15POLB
SCHEMBL69003 0.78 ALOX15 (0.53) DBHMMP2ALDH1A1ALOX15POLB
SCHEMBL31339525 0.78 ALOX15 (0.53) DBHMMP2ALDH1A1ALOX15POLB
SCHEMBL122963 0.78 ALDH1A1 (0.60) DBHMMP2ALDH1A1ALOX15POLB
Formaldehyde SCHEMBL11203204 0.77 HPGD (0.45) DBHMMP2ALDH1A1ALOX15POLB
SCHEMBL8539291 0.76 ALOX15 (0.50) DBHMMP2ALDH1A1ALOX15POLB
SCHEMBL10616124 0.76 ALOX15 (0.50) DBHMMP2ALDH1A1ALOX15POLB
Bicarbonate SCHEMBL11202875 0.75 KDM4E (0.46) DBHMMP2ALDH1A1ALOX15POLB
Ammonia Solution, Strong SCHEMBL10941409 0.74 ALOX15 (0.47) DBHMMP2ALDH1A1ALOX15POLB
SCHEMBL10941417 0.74 ALOX15 (0.47) DBHMMP2ALDH1A1ALOX15POLB

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-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
EP-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed