SCHEMBL8443134

SCHEMBL8443134

CCCSC(C(=O)OC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CHRM1 P11229 1/20 0.49
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
PAX8 Q06710 1/20 0.43
EPHX1 P07099 1/20 0.43
MEN1 O00255 1/20 0.42
MMP8 P22894 1/20 0.42
SOAT2 O75908 1/20 0.42
ACAT1 P24752 1/20 0.42
SOAT1 P35610 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL9000638 0.88 SOAT2 (0.55) KMT2ACHRM1LMNAPAX8SOAT2
SCHEMBL5901073 0.88 SOAT2 (0.55) KMT2ACHRM1LMNAPAX8SOAT2
SCHEMBL11252374 0.84 KMT2A (0.49) KMT2ACHRM1PKMLMNAEPHX1
SCHEMBL283611 0.79 KMT2A (0.62) KMT2APKMLMNAMEN1SMN1; SMN2
SCHEMBL11357298 0.79 SMN1; SMN2 (0.44) KMT2ACHRM1LMNAMEN1SMN1; SMN2
SCHEMBL1578734 0.78 KMT2A (0.60) KMT2APKMLMNAMEN1SMN1; SMN2
SCHEMBL11601356 0.76 CNR2 (0.41) CHRM1PKMLMNAPAX8EPHX1
SCHEMBL27864446 0.76 KMT2A (0.58) KMT2APKMLMNAMEN1SMN1; SMN2
SCHEMBL9000631 0.76 CYSLTR2 (0.48) KMT2ALMNAMEN1SOAT2ACAT1
SCHEMBL10954939 0.75 EPHX1 (0.53) KMT2ALMNAEPHX1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed