SCHEMBL8104183

SCHEMBL8104183

C=CCOC(=O)CCCSC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL31122207 0.82 TSHR (0.59) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL463195 0.79 TSHR (0.70) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL153651 0.79 TSHR (0.77) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL11131919 0.78 TSHR (0.65) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL8197233 0.78 CYP1A2 (0.53) TSHRALDH1A1GAATDP1LMNA
SCHEMBL5392962 0.77 TSHR (0.81) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL180289 0.77 TSHR (0.81) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL11795597 0.77 TSHR (0.81) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL10834721 0.77 TSHR (0.81) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL11131759 0.77 TSHR (0.74) TSHRALDH1A1GAATDP1SMN1; 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
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed