SCHEMBL6024796

SCHEMBL6024796

CS(=O)(=O)ON=C(C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.37
PTGS2 P35354 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
PTPN1 P18031 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL6024791 1.00 GAA (0.39) GAACYP2C19TSHRPOLBPTGS2
SCHEMBL12629321 0.88 CES2 (0.43) GAACYP2C19TSHRPOLBLMNA
SCHEMBL26325460 0.88 CES2 (0.42) GAACYP2C19TSHRPOLBPTGS2
SCHEMBL6024818 0.85 TSHR (0.43) GAACYP2C19TSHRPOLBMAPT
SCHEMBL26325442 0.85 TSHR (0.43) GAACYP2C19TSHRPOLBMAPT
SCHEMBL6025557 0.85 TSHR (0.43) GAACYP2C19TSHRPOLBMAPT
SCHEMBL6025935 0.82 AKR1C3 (0.44) GAATSHRAKR1C2AKR1C1LMNA
SCHEMBL6025936 0.82 AKR1C3 (0.44) GAATSHRAKR1C2AKR1C1LMNA
SCHEMBL6025570 0.80 ALDH1A1 (0.42) POLBLMNAMAPTKMT2ASMN1; SMN2
SCHEMBL26325437 0.79 GAA (0.44) GAATSHRPOLBPTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163553-B1 OXIME DERIVATIVES AND THE USE THEREOF AS PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2006-06-14 EP claimed