SCHEMBL10818995

SCHEMBL10818995

C=CCS(=O)(=O)c1cc(C(O)C(N)C=C)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.35
▸ LMNA P02545 4/20 0.35
▸ BLM P54132 3/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ KDM4E B2RXH2 8/20 0.35
▸ RECQL P46063 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ THPO P40225 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 2/20 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
SCHEMBL10652141 0.70 TDP1 (0.36) TDP1LMNABLMNR1I2PTGS1
SCHEMBL11037767 0.70 XDH (0.56) PTGS1KDM4EMAPTPOLBKMT2A
SCHEMBL28814337 0.70 GABRA1 (0.39) TDP1LMNAKDM4EMAPTTSHR
SCHEMBL27984516 0.69 ALOX5 (0.43) LMNAPTGS1KDM4EHIF1AHSD17B10
SCHEMBL10958505 0.69 ALDH1A1 (0.46) TDP1KDM4ERECQLMAPTHSD17B10
SCHEMBL10649553 0.68 TDP1 (0.35) TDP1LMNABLMNR1I2PTGS1
SCHEMBL11079398 0.67 ALDH1A1 (0.49) TDP1LMNABLMKDM4ERECQL
SCHEMBL3220830 0.64 PNMT (0.35) TDP1LMNATSHR
SCHEMBL10585791 0.64 ALDH1A1 (0.49) LMNAKDM4EMAPTKMT2AHTT
SCHEMBL13971484 0.62 TDP1 (0.59) TDP1LMNABLMNR1I2PTGS1

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-4695589-A HYPOTENSIVE AGENTS STERLING DRUG INC. (US) 1987-09-22 — — US disclosed
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