SCHEMBL6463892

SCHEMBL6463892

CCCCCCCC(=O)c1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.63
STS P08842 5/20 0.58
THRA P10827 2/20 0.55
THRB P10828 2/20 0.55
HTR7 P34969 1/20 0.51
CA2 P00918 2/20 0.48

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
SCHEMBL27549029 1.00 HSD17B3 (0.63) HSD17B3STSTHRATHRBHTR7
SCHEMBL28422360 0.98 HSD17B3 (0.65) HSD17B3STSTHRATHRBHTR7
SCHEMBL10497062 0.98 HSD17B3 (0.65) HSD17B3STSTHRATHRBHTR7
SCHEMBL5175976 0.87 ALDH1A1 (0.59) HSD17B3STSTHRATHRBCA2
SCHEMBL5160486 0.87 ALDH1A1 (0.59) HSD17B3STSTHRATHRBCA2
SCHEMBL5159557 0.87 ALDH1A1 (0.59) HSD17B3STSTHRATHRBCA2
SCHEMBL13085794 0.84 HSD17B3 (0.85) HSD17B3STSTHRATHRBHTR7
SCHEMBL13085847 0.84 HSD17B3 (0.85) HSD17B3STSTHRATHRBHTR7
SCHEMBL12917844 0.84 STS (0.67) HSD17B3STSTHRATHRBCA2
SCHEMBL6463889 0.84 HSD17B3 (0.63) HSD17B3STSTHRATHRBHTR7

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
CN-101506361-A Subtilisin from bacillus pumilus and washing and cleaning agents containing said novel subtilisin HENKEL KGAA (DE) 2009-08-12 CN disclosed
US-20050282261-A1 Novel choline oxidases HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 US disclosed
US-4883612-A Preparation of para-acyloxybenzene sulfonates RHONE-POULENC CHIMIE DE BASE (FR) 1989-11-28 US disclosed
US-4588532-A Preparation of para-acyloxybenzene sulfonates RHONE-POULENC CHIMIE DE BASE (FR) 1986-05-13 US disclosed