SCHEMBL8436641

SCHEMBL8436641

CCCCOCC(O)C[N+](C)(C)CC(O)CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.42
HTT P42858 1/20 0.41
LPAR5 Q9H1C0 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
PSMD14 O00487 2/20 0.36
PLA2G1B P04054 2/20 0.36
MMP2 P08253 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CASR P41180 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
RAD52 P43351 1/20 0.33
P2RY10 O00398 1/20 0.32

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
Betaine SCHEMBL8018563 0.90 LMNA (0.37) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL17995076 0.87 USP2 (0.50) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL6235780 0.87 USP2 (0.41) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL28643334 0.85 USP2 (0.49) USP2HTTLPAR5CYP1A2CYP3A4
Betaine SCHEMBL8034210 0.85 USP2 (0.43) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL3813244 0.82 USP2 (0.58) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL10395669 0.81 USP2 (0.61) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL9854730 0.81 USP2 (0.56) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL11146470 0.79 PSMD14 (0.43) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL17991834 0.79 PSMD14 (0.47) HTTPSMD14PLA2G1BMMP2ATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed