SCHEMBL7395682

SCHEMBL7395682

COC(=O)C1(COc2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.44
▸ MTNR1B P49286 4/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39

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
SCHEMBL2818420 0.85 MAPT (0.53) RAB9AL3MBTL1MAPTGAAALDH1A1
SCHEMBL10062555 0.78 ALDH1A1 (0.47) MAPTALOX15ALDH1A1TSHRHSD17B10
SCHEMBL14967622 0.74 L3MBTL1 (0.44) MTNR1AMTNR1BRAB9AL3MBTL1MAPT
SCHEMBL11271674 0.73 POLB (0.43) MAPTALDH1A1MEN1KMT2AADRA1A
SCHEMBL11297133 0.73 MTNR1A (0.51) MTNR1AMTNR1BRAB9AMAPTGAA
SCHEMBL667989 0.71 KCNA3 (0.41) MTNR1AMTNR1BALOX15ALDH1A1HTR1A
SCHEMBL11013902 0.71 ALDH1A1 (0.42) MTNR1AMTNR1BALOX15ALDH1A1NPC1
SCHEMBL19091769 0.71 KCNA3 (0.41) MTNR1AMTNR1BALOX15ALDH1A1HTR1A
SCHEMBL11292129 0.71 LMNA (0.64) MAPTALDH1A1MEN1KMT2A
SCHEMBL7269669 0.70 KCNA3 (0.44) ALOX15ALDH1A1HTR1AADRA1A

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
WO-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 — — WO disclosed
Send feedback