SCHEMBL29660331

SCHEMBL29660331

CCCCOC(=O)c1nc(-c2ccc(OCC)cc2)sc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.46
MAPT P10636 4/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 2/20 0.42
DDX3X O00571 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
PPARG P37231 1/20 0.41
SMAD3 P84022 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29660336 0.90 PTPN11 (0.55) PTPN11MAPTTRPM8KDM4EMEN1
SCHEMBL29660417 0.86 ALDH1A1 (0.43) PTPN11MAPTALDH1A1LMNARAB9A
SCHEMBL29660317 0.82 PTPN11 (0.44) PTPN11MAPTTRPM8ALDH1A1LMNA
SCHEMBL29660327 0.81 P2RY12 (0.44) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL717443 0.76 TRPM8 (0.61) MAPTTRPM8ALDH1A1LMNARAB9A
SCHEMBL29911121 0.76 L3MBTL1 (0.57) PTPN11MAPTTRPM8LMNAKDM4E
SCHEMBL9861415 0.76 L3MBTL1 (0.49) MAPTALDH1A1LMNARAB9AHSD17B10
SCHEMBL13345947 0.73 RARB (0.53) MAPTTRPM8ALDH1A1LMNARAB9A
SCHEMBL7907728 0.71 RARB (0.46) PTPN11MAPTTRPM8ALDH1A1LMNA
SCHEMBL947523 0.71 ALDH1A1 (0.75) MAPTALDH1A1LMNARAB9ANPC1

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
EP-4003955-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-06-01 EP disclosed