SCHEMBL7716428

SCHEMBL7716428

NC(CCCCCCCCCCCCCCCCO)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.64
ARG2 P78540 4/20 0.57
ARG1 P05089 3/20 0.57
NOS2 P35228 6/20 0.53
NOS1 P29475 4/20 0.50
CYP1A2 P05177 3/20 0.50
NOS3 P29474 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
SLC1A3 P43003 1/20 0.50

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
SCHEMBL31370110 1.00 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL5967324 1.00 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL31370204 1.00 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL5967486 1.00 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL197363 0.98 GSR (0.67) GSRARG2ARG1NOS2NOS1
SCHEMBL128663 0.98 GSR (0.67) GSRARG2ARG1NOS2NOS1
SCHEMBL2684333 0.98 GSR (0.67) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL21837616 0.95 GSR (0.64) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL21837618 0.95 GSR (0.64) GSRARG2ARG1NOS2NOS1
Serine SCHEMBL20262108 0.91 GSR (0.59) GSRARG2ARG1NOS2NOS1

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
US-6380410-B1 ALKOXYLATED FATTY ACID BASF AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
US-6320064-B1 SURFACTANTS FOR AQUEOUS CLEANER SYSTEMS FOR CLEANING NONTEXTILE MATERIAL WITH IMPROVED FAT-REMOVAL CAPACITY BASF AKTIENGESELLSCHAFT (DE) 2001-11-20 US disclosed
US-6204238-B1 BASED ON EPOXIDIZED UNSATURATED FATTY ACID ESTERS OR TRIGLYCERIDES AND REACTED WITH AMINES SUCH AS HYDROXY-AND/OR AMINO-SUBSTITUTED HYDROPHILIC AMINES OR AMINO ACIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
US-6057283-A REACTING AN EPOXIDIZED FATTY AMIDE WITH ATLEST A CARBOXYALKYL AMINE OR SULFOALKYL AMINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
US-6004923-A ANTISOILANTS; DEGREASING NONTEXTILE MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed