SCHEMBL7987987

SCHEMBL7987987

CCCCOc1ccc(S(=O)(=O)C2CC(C(=O)OCC)CCN2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
PKM P14618 2/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 3/20 0.50
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL7616117 0.88 ALDH1A1 (0.56) KCNH2PKMKMT2AALDH1A1TSHR
SCHEMBL7412782 0.84 MAPT (0.51) KCNH2PKMKMT2AHRH3TSHR
SCHEMBL7952260 0.84 LTA4H (0.52) KCNH2PKMKMT2AHRH3LTA4H
SCHEMBL7642974 0.82 KCNH2 (0.49) KCNH2PKMKMT2AHRH3LTA4H
SCHEMBL7551349 0.79 MAPT (0.46) KCNH2PKMKMT2AALDH1A1TSHR
SCHEMBL7510431 0.76 KCNH2 (0.51) KCNH2PKMKMT2AHRH3LTA4H
SCHEMBL7628372 0.76 MMP1 (0.49)
SCHEMBL7510655 0.75 L3MBTL1 (0.49) KCNH2TSHRL3MBTL1
SCHEMBL7624290 0.75 LTA4H (0.49) KCNH2PKMKMT2AHRH3LTA4H
SCHEMBL7509920 0.75 ALDH1A1 (0.53) KCNH2PKMKMT2AALDH1A1TSHR

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-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed