SCHEMBL6827760

SCHEMBL6827760

CCCCCCCCCCCCSCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.56
THRB P10828 4/20 0.43
CES2 O00748 3/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRA P10827 1/20 0.39
FAAH O00519 4/20 0.38
CES1 P23141 4/20 0.38
PLA2G6 O60733 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MGLL Q99685 1/20 0.36

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
SCHEMBL20137213 1.00 DNM1 (0.56) DNM1THRBCES2GMNNTP53
SCHEMBL17817257 1.00 DNM1 (0.56) DNM1THRBCES2GMNNTP53
SCHEMBL18848499 0.90 DNM1 (0.48) DNM1THRBCES2GMNNTP53
SCHEMBL10556481 0.88 DNM1 (0.45) DNM1GMNNTP53POLBMAPT
SCHEMBL23132630 0.86 DNM1 (0.64) DNM1THRBCES2GMNNTP53
Trimethylammonium SCHEMBL27329653 0.85 CES2 (0.50) DNM1THRBCES2GMNNTP53
SCHEMBL198723 0.82 THRB (0.57) DNM1THRBCES2GMNNTP53
SCHEMBL200300 0.82 THRB (0.57) DNM1THRBCES2GMNNTP53
SCHEMBL24370114 0.82 THRB (0.57) DNM1THRBCES2GMNNTP53
SCHEMBL200026 0.82 THRB (0.57) DNM1THRBCES2GMNNTP53

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
EP-1135024-B1 PROMOTING BIOLOGICAL EFFECTIVENESS OF EXOGENOUS CHEMICAL SUBSTANCES IN PLANTS FLAMEL TECH SA (FR) 2004-12-29 EP disclosed
US-6500783-B1 COMPOSITION FOR APPLICATION TO FOLIAGE OF PLANT TO ELICIT BIOLOGICAL RESPONSE, COMPRISING AGRONOMICALLY ACCEPTABLE LIQUID CARRIER, HAVING DISSOLVED OR DISPERSED THEREIN ANIONIC EXOGENOUS CHEMICAL SUBSTANCE AND ONE OR MORE PROTONABLE AMINES MONSANTO TECHNOLOGY LLC 2002-12-31 US disclosed
EP-1135024-A1 PROMOTING BIOLOGICAL EFFECTIVENESS OF EXOGENOUS CHEMICAL SUBSTANCES IN PLANTS Monsanto Company (US) 2001-09-26 EP disclosed
WO-2000032045-A1 PROMOTING BIOLOGICAL EFFECTIVENESS OF EXOGENOUS CHEMICAL SUBSTANCES IN PLANTS MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed