SCHEMBL7115160

SCHEMBL7115160

NC(CSSCC(N)(C(=O)O)C(=O)CO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
DNMT1 P26358 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL9810276 0.87 KIF11 (0.33) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL15757119 0.87 KIF11 (0.33) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL10337839 0.84 GSR (0.42) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL1956280 0.84 GSR (0.42) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL7195676 0.83 KIF11 (0.35) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL111493 0.82 NOS2 (0.41) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL20816349 0.82 NOS2 (0.41) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL15757129 0.80
SCHEMBL15440082 0.79 GRIK1 (0.33) KIF11NOS2NOS1NOS3DNMT1
SCHEMBL10422578 0.79 KIF11 (0.36) KIF11NOS2NOS1NOS3DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721347-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS Beiersdorf Aktiengesellschaft (DE) 1996-07-17 EP claimed
WO-1995005852-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS BEIERSDORF AG (DE) 1995-03-02 WO claimed
EP-0797427-B1 AGENTS ACTING AGAINST HYPERREACTIVE AND HYPOACTIVE, DEFICIENT SKIN CONDITIONS AND MANIFEST DERMATITIDES BEIERSDORF AG (DE) 2003-05-14 EP disclosed
EP-1300138-A2 Agents effective against hyperreactive and hypoactive deficient skin conditions as well as manifest dermatitis Beiersdorf AG (DE) 2003-04-09 EP disclosed
US-6180662-B1 MIXTURE OF CINNAMIC ACID, ANTIOXIDANT, ENZYME, MICROBIOCIDES AND VIRICIDES BEIERSDORF AG (DE) 2001-01-30 US disclosed
US-5952373-A APPLYING TO THE SKIN AN EFFECTIVE AMOUNT OF ONE OR MORE FLAVONOIDS BEIERSDORF AG (DE) 1999-09-14 US disclosed
EP-0797427-A1 AGENTS ACTING AGAINST HYPERREACTIVE AND HYPOACTIVE, DEFICIENT SKIN CONDITIONS AND MANIFEST DERMATITIDES Beiersdorf Aktiengesellschaft (DE) 1997-10-01 EP disclosed
EP-0721347-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS Beiersdorf Aktiengesellschaft (DE) 1996-07-17 EP disclosed
WO-1996018381-A1 AGENTS ACTING AGAINST HYPERREACTIVE AND HYPOACTIVE, DEFICIENT SKIN CONDITIONS AND MANIFEST DERMATITIDES BEIERSDORF AG (DE) 1996-06-20 WO disclosed
WO-1995005852-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS BEIERSDORF AG (DE) 1995-03-02 WO disclosed