SCHEMBL9048648

SCHEMBL9048648

CC(OC(=O)CC(=O)CCl)Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BLM P54132 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
SCHEMBL28617660 0.77 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL9427630 0.74 LMNA (0.42) SMN1; SMN2L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL9045868 0.74 FAAH (0.50) FAAHALDH1A1TSHRMEN1KMT2A
SCHEMBL9045030 0.73 LMNA (0.48) FAAHSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL9512744 0.73 CRHBP (0.51) FAAHSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL465266 0.73 LMNA (0.41) SMN1; SMN2L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL10767133 0.71 TSHR (0.52) SMN1; SMN2ALDH1A1LMNAPOLBTSHR
SCHEMBL9046024 0.71 FAAH (0.51) FAAH
SCHEMBL8896301 0.70 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL9422948 0.70 POLB (0.45) SMN1; SMN2L3MBTL1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115770-B2 Thiazole Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-19 EP disclosed
US-4695639-A Thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-09-22 US disclosed
EP-0115770-B1 THIAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0115770-A1 Thiazole Derivatives Takeda Chemical Industries, Ltd. (JP) 1984-08-15 EP disclosed