SCHEMBL11248282

SCHEMBL11248282

Cc1cc(=S)c(OCC(=O)O)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPT P10636 1/20 0.39
PPARD Q03181 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL11247772 0.83 GAA (0.45) TSHRPOLBCYP2C19GLAMAPT
SCHEMBL11264343 0.82 POLB (0.41) TDP1TSHRPTGDR2POLBSMN1; SMN2
SCHEMBL18780289 0.66 KDM4E (0.49) TDP1TSHRPTGDR2POLBSMN1; SMN2
SCHEMBL18780641 0.66 TDP1 (0.59) TDP1TSHRPTGDR2POLBSMN1; SMN2
SCHEMBL11258085 0.66 ALDH1A1 (0.44) TSHRPOLBSMN1; SMN2CYP2C19GLA
SCHEMBL5070268 0.65 RAB9A (0.56) PTGDR2CYP2C19L3MBTL1MAPTKDM4E
SCHEMBL8846694 0.65 L3MBTL1 (0.56) TSHRPOLBSMN1; SMN2L3MBTL1MCL1
SCHEMBL11269013 0.64 L3MBTL1 (0.45) TDP1CYP2C19L3MBTL1MAPT
SCHEMBL5065516 0.64 SMN1; SMN2 (0.46) TDP1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL320418 0.63 PTGDR2 (0.66) TDP1TSHRPTGDR2POLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324892-A 7-(N-Substituted-2-phenylglycinamido)-3-substituted-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-13 US disclosed
US-4172198-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-10-23 US disclosed