SCHEMBL8475758

SCHEMBL8475758

O=C1CSC(=O)N1Cc1ccc(OCc2ccc3c(c2)ncn3Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
TNF P01375 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CSF1R P07333 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
LTA4H P09960 1/20 0.40
NR1I2 O75469 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
Water SCHEMBL8475036 0.99 GSK3A (0.52) GSK3AGSK3BCYP11B1CYP11B2TNF
Thiazolidinedione SCHEMBL8475028 0.78 MAOA (0.42) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL8686935 0.76 GSK3A (0.52) GSK3AGSK3BHTTNPSR1POLB
SCHEMBL7690195 0.76 CYP11B1 (0.74) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL27390956 0.75 CYP11B1 (0.45) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL8499789 0.75 GSK3A (0.70) GSK3AGSK3BTSHRNPSR1ALDH1A1
SCHEMBL8690432 0.74 GSK3A (0.50) GSK3AGSK3BALDH1A1POLB
SCHEMBL6899335 0.74 FFAR1 (0.65)
SCHEMBL26710431 0.74 GSK3A (0.65) GSK3AGSK3BSMN1; SMN2HTTLMNA
Water SCHEMBL7805181 0.74 FFAR1 (0.64)

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
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US claimed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed