SCHEMBL10971978

SCHEMBL10971978

CCCCSC(C(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
PIN1 Q13526 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
PRSS1 P07477 3/20 0.40
CTSG P08311 3/20 0.40
CTRB1 P17538 3/20 0.40
CMA1 P23946 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14534946 0.77 PGR (0.47) KMT2ATDP1ALDH1A1CES2CES1
SCHEMBL15172842 0.77 PRSS1 (0.45) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7374971 0.77 SMN1; SMN2 (0.47) MEN1NPC1KMT2ATDP1PIN1
SCHEMBL28032360 0.75 MEN1 (0.48) MEN1NPC1KMT2ATDP1PIN1
SCHEMBL27393325 0.75 TDP1 (0.57) MEN1NPC1KMT2ATDP1PIN1
SCHEMBL11536485 0.75 SOAT2 (0.46) TDP1LMNAALDH1A1POLBCES2
SCHEMBL7370964 0.74 SMN1; SMN2 (0.50) MEN1NPC1KMT2ATDP1PIN1
SCHEMBL2098734 0.73 NPC1 (0.59) MEN1NPC1KMT2ATDP1PIN1
SCHEMBL28226195 0.73 NPC1 (0.59) MEN1NPC1KMT2ATDP1PIN1
SCHEMBL27715083 0.73 NPC1 (0.59) MEN1NPC1KMT2ATDP1PIN1

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-7202014-B2 Stimulus-sensitive composition, compound and pattern formation method using the stimulation-sensitive composition FUJIFILM CORPORATION (JP) 2007-04-10 US disclosed
EP-0122388-B1 PROCESS FOR PREPARING VICINAL POLYCARBONYL COMPOUNDS BASF Aktiengesellschaft (DE) 1985-11-06 EP disclosed
EP-0122388-A1 Process for preparing vicinal polycarbonyl compounds BASF Aktiengesellschaft (DE) 1984-10-24 EP disclosed