SCHEMBL8535181

SCHEMBL8535181

O=C1CC(C(=O)c2ccc(-c3ccccc3)cc2)CO1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
MGLL Q99685 3/20 0.44
HSD11B1 P28845 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KDM2B Q8NHM5 3/20 0.42

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
SCHEMBL5238501 0.90 HTT (0.71) HTTMGLLHSD11B1MEN1KMT2A
SCHEMBL7266828 0.81 HTT (0.71) HTTMGLLHSD11B1MEN1KMT2A
SCHEMBL8532319 0.78 HTT (0.68) HTTKDM4ELMNAMAPTKDM2B
SCHEMBL31279997 0.76 NPC1 (0.62) MGLLHSD11B1MEN1KMT2AMAPT
Bicarbonate SCHEMBL11475794 0.74 NPC1 (0.61) MGLLHSD11B1MEN1KMT2AMAPT
SCHEMBL3226999 0.74 HTT (0.61) HTTHSD11B1MEN1KMT2AHPGD
SCHEMBL10801970 0.73 MGLL (0.50) MGLLHSD11B1MEN1KMT2ATP53
SCHEMBL8532097 0.72 SMN1; SMN2 (0.44) MGLLHSD11B1SIRT2MEN1KMT2A
Acetic Acid SCHEMBL7604746 0.71 NPC1 (0.62) MGLLHSD11B1MEN1KMT2AMAPT
SCHEMBL29002065 0.71 SRD5A2 (0.64) MGLLHSD11B1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP claimed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed