SCHEMBL29633560

SCHEMBL29633560

CN(C)S(=O)(=O)NC(=O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SCN9A Q15858 4/20 0.38
EPHX1 P07099 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
NAAA Q02083 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
SCHEMBL4154252 0.81 ALDH1A1 (0.32) ALDH1A1THRBKMT2ACA1CA2
SCHEMBL7695741 0.77 HDAC8 (0.48) HDAC8HDAC6ALDH1A1LMNASMN1; SMN2
SCHEMBL7180667 0.76 HDAC8 (0.52) HDAC8HDAC6LMNASMN1; SMN2NPSR1
SCHEMBL19060 0.75 HDAC8 (0.52) HDAC8HDAC6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11031178 0.74 HDAC8 (0.56) HDAC8HDAC6ALDH1A1LMNASMN1; SMN2
SCHEMBL11139466 0.74 HDAC8 (0.56) HDAC8HDAC6ALDH1A1LMNASMN1; SMN2
SCHEMBL15082184 0.72 HDAC8 (0.48) HDAC8HDAC6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15931748 0.72 HDAC8 (0.43) HDAC8HDAC6ALDH1A1LMNASMN1; SMN2
SCHEMBL22169725 0.69 HDAC8 (0.50) HDAC8HDAC6ALDH1A1LMNAHTT
SCHEMBL27657081 0.68 TSHR (0.46) HDAC8HDAC6ALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed