SCHEMBL11542804

SCHEMBL11542804

CCCCCOc1c(N2CCC(C)C2)cc(C(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ USP2 O75604 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SLC12A2 P55011 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PLA2G2A P14555 1/20 0.39
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL11545540 0.97 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11546215 0.86 KDM4E (0.61) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11541323 0.85 KDM4E (0.60) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11547756 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11543396 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11542966 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11541883 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11543896 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11542637 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDUSP2
SCHEMBL11544254 0.79 KDM4E (0.57) ALDH1A1KDM4EHSD17B10HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 — — US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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