SCHEMBL6562033

SCHEMBL6562033

CCN(O)C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
FFAR3 O14843 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL27282793 0.77 TSHR (0.41) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL10207205 0.76 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL10277170 0.74 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL10207226 0.74 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28144948 0.73 MMP1 (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8583397 0.70 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14926784 0.69 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8161352 0.67 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL6678643 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8355412 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432896-B1 MIXTURE; CLEANING COMPOUND; HEAT RESISTANCE KAO CORPORATION (JP) 2002-08-13 US claimed
CN-116785188-A Skin cleansing composition 花王株式会社 2023-09-22 CN disclosed
CN-110520102-B Skin cleansing composition 花王株式会社 2023-08-22 CN disclosed
CN-110494120-B Method for removing corner bolts 花王株式会社 2023-07-18 CN disclosed
CN-110505866-B Skin cleansing composition 花王株式会社 2023-04-28 CN disclosed
CN-110520103-B Skin cleanser composition 花王株式会社 2023-04-04 CN disclosed
EP-1043386-B1 DETERGENT COMPOSITION KAO CORP (JP) 2004-05-12 EP disclosed
US-6551971-B2 Cleaning compound for skin KAO CORPORATION (JP) 2003-04-22 US disclosed
US-20020119908-A1 Detergent composition comprising an amphoteric surfactant system KAO CORPORATION (JP) 2002-08-29 US disclosed
US-6432896-B1 MIXTURE; CLEANING COMPOUND; HEAT RESISTANCE KAO CORPORATION (JP) 2002-08-13 US disclosed
EP-1043386-A1 DETERGENT COMPOSITION Kao Corporation (JP) 2000-10-11 EP disclosed