SCHEMBL11065639

SCHEMBL11065639

COC(=O)c1ccccc1S(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CFTR P13569 1/20 0.53
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
ALOX15 P16050 1/20 0.47
SLC6A3 Q01959 4/20 0.46
MYC P01106 1/20 0.46
SLC6A4 P31645 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.42

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
SCHEMBL6132876 0.81 LMNA (0.52) LMNATSHRALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL34630 0.79 TSHR (0.74) LMNATSHRALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL29500970 0.79 TSHR (0.74) LMNATSHRALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL29669976 0.79 TSHR (0.74) LMNATSHRALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL790124 0.79 TSHR (0.74) LMNATSHRALDH1A1HSD17B10CFTR
SCHEMBL28007602 0.78 ALDH1A1 (0.44) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL18903282 0.77 GAA (0.53) ALDH1A1POLBSLC6A3SLC6A4GAA
Dimethyl Phthalate SCHEMBL30278536 0.77 TSHR (0.71) LMNATSHRALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL10602130 0.77 TSHR (0.71) LMNATSHRALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL28376050 0.77 TSHR (0.71) LMNATSHRALDH1A1HSD17B10CFTR

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
US-4464537-A Preparation of saccharin BASF AKTIENGESELLSCHAFT (DE) 1984-08-07 US disclosed