SCHEMBL18801445

SCHEMBL18801445

COC(=O)c1c(CSc2cccc(OC)c2)ccc(-c2ccoc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
ALDH1A1 P00352 3/20 0.40
PPARG P37231 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
METAP2 P50579 3/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 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
SCHEMBL1648250 0.89 METAP2 (0.43) MAPTMETAP2ADORA2AADORA1L3MBTL1
SCHEMBL18801304 0.81 METAP2 (0.49) ALDH1A1PPARGLMNAMETAP2L3MBTL1
SCHEMBL18801277 0.81 CYP2C9 (0.42) ALDH1A1LMNAMETAP2TUBB4ATUBB
SCHEMBL1649341 0.81 METAP2 (0.47) ALDH1A1PPARGMETAP2L3MBTL1TUBB4A
SCHEMBL1648096 0.80 METAP2 (0.44) MTNR1BALDH1A1PPARGLMNAMAPT
SCHEMBL18801318 0.80 METAP2 (0.43) ALDH1A1LMNAMAPTHSD17B10METAP2
SCHEMBL1649106 0.80 METAP2 (0.39) MTNR1AMTNR1BPPARGMETAP2L3MBTL1
SCHEMBL1648140 0.79 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL1648474 0.79 METAP2 (0.38) ALDH1A1LMNAMAPTHSD17B10METAP2
SCHEMBL18801336 0.79 LMNA (0.44) ALDH1A1LMNAMAPTHSD17B10METAP2

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-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed