SCHEMBL9506732

SCHEMBL9506732

CCOC1(OCC)OC(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 8/20 0.49
CYP2C19 P33261 5/20 0.49
CYP2C9 P11712 4/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
RECQL P46063 2/20 0.47
CYP3A4 P08684 4/20 0.46
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
GPR55 Q9Y2T6 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
TYMS P04818 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL30882673 0.79 CFTR (0.48) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL675984 0.79 CFTR (0.48) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL3887315 0.77 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL11498604 0.77 NPSR1 (0.51) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL12134500 0.74 MAPT (0.47) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL10649373 0.73 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AL3MBTL1TDP1
SCHEMBL8577386 0.73 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL28455989 0.73 NPSR1 (0.63) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL9506747 0.72 NPSR1 (0.58) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1
SCHEMBL6739516 0.72 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1CYP2C19CYP2C9MEN1

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-0377406-B1 PRESSURE-SENSITIVE OR HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5013707-A Pressure- or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0377406-A1 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-07-11 EP disclosed