SCHEMBL6756336

SCHEMBL6756336

CCCCCCCCCCCCS(=O)(=O)C(CC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.44
CA2 P00918 4/20 0.43
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL9341038 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL9094759 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL9097576 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL9097093 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL9094993 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL5056520 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL9095201 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL9097715 0.98 GPR84 (0.46) GPR84CA2PPARGPPARDPPARA
SCHEMBL11217432 0.96 GPR84 (0.43) GPR84CA2PPARGPPARDPPARA
SCHEMBL10868016 0.84 CA2 (0.47) GPR84CA2PPARDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225214-B1 Detergent composition SHISEIDO CO LTD (JP) 2004-05-06 EP disclosed
EP-0999260-B1 Detergent composition SHISEIDO CO LTD (JP) 2003-12-10 EP disclosed
US-6602848-B2 Contains alkali metal N-methyltaurate, alkali metal taurate or alkali metal hypotaurate salt of specific organic acid or organic alkali N-methyltaurate, organic alkali taurate or organic alkali hypotaurate salt of specific organic acid SHISEIDO COMPANY, LTD. (JP) 2003-08-05 US disclosed
EP-1225214-A2 Detergent composition SHISEIDO COMPANY LIMITED (JP) 2002-07-24 EP disclosed
US-6355608-B1 DETERGENT COMPOSITION COMPRISING AQUEOUS SOLUTION OF ALKALI METAL N-METHYLTAURATE SALT OF FATTY ACID, IN CONCENTRATION OF AT LEAST 50 MOLE PERCENT BASED ON TOTAL MOLES OF ALKALI METAL SALT OF FATTY ACID PRESENT SHISEIDO CO., LTD. (JP) 2002-03-12 US disclosed
US-6344435-B1 Detergent composition SHISEIDO CO., LTD. (JP) 2002-02-05 US disclosed
US-6303559-B1 ALKALI METAL N-METHYLTAURATE SALT OF AN N-ACYLMETHYLTAURINE SHISEIDO COMPANY, LTD. (JP) 2001-10-16 US disclosed
EP-0999260-A2 Detergent composition SHISEIDO COMPANY LIMITED (JP) 2000-05-10 EP disclosed