SCHEMBL15940239

SCHEMBL15940239

CC(C)=CCC/C(C)=C/Cc1cc(O)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.55
BACE1 P56817 3/20 0.54
MAOB P27338 2/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
APP P05067 1/20 0.48
PTPN1 P18031 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CNR2 P34972 1/20 0.47
ICMT O60725 1/20 0.47
GMNN O75496 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL15940242 1.00 CTSK (0.55) CTSKBACE1MAOBLMNAMAPT
SCHEMBL3748239 0.87 PTPN1 (0.52) MEN1ALDH1A1KMT2APTPN1CYP1A2
SCHEMBL6023355 0.86 BACE1 (0.48) CTSKBACE1MAOBLMNAMAPT
SCHEMBL6027405 0.86 BACE1 (0.48) CTSKBACE1MAOBLMNAMAPT
SCHEMBL28036 0.82 MAPT (0.60) BACE1MAOBLMNAMAPTPPARG
SCHEMBL28035 0.82 MAPT (0.60) BACE1MAOBLMNAMAPTPPARG
SCHEMBL5604693 0.82 MAPT (0.60) BACE1MAOBLMNAMAPTPPARG
Geroquinol SCHEMBL29929565 0.81 ALOX5 (0.57) CTSKBACE1MAOBAPPPTPN1
Geroquinol SCHEMBL557012 0.81 ALOX5 (0.57) CTSKBACE1MAOBAPPPTPN1
Geroquinol SCHEMBL557013 0.81 ALOX5 (0.57) CTSKBACE1MAOBAPPPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108865961-B Method for synthesizing 3-geranyl-4-hydroxybenzoic acid and xiamenmycin by using escherichia coli 上海交通大学 2020-07-14 CN disclosed
US-10011839-B2 Metabolic transistor in bacteria WILLIAM MARSH RICE UNIVERSITY (US) 2018-07-03 US disclosed
US-20170009241-A1 METABOLIC TRANSISTOR IN BACTERIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-12 US disclosed
US-9441253-B2 Metabolic transistor in bacteria WILLIAM MARSH RICE UNIVERSITY (US) 2016-09-13 US disclosed
US-20140227745-A1 METABOLIC TRANSISTOR IN BACTERIA WILLIAM MARSH RICE UNIVERSITY (US) 2014-08-14 US disclosed