SCHEMBL9506747

SCHEMBL9506747

COC1(Oc2ccccc2)OC(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 9/20 0.58
GAA P10253 2/20 0.58
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44
CYP3A4 P08684 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 2/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41

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
SCHEMBL28455989 0.91 NPSR1 (0.63) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL675984 0.88 CFTR (0.48) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL30882673 0.88 CFTR (0.48) NPSR1GAACFTRGOPCCYP2C9
Naphthalene SCHEMBL28897828 0.87 NPSR1 (0.58) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL11498604 0.83 NPSR1 (0.51) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL9788150 0.82 NPSR1 (0.49) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL8577386 0.77 SMN1; SMN2 (0.43) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL22343694 0.73 CFTR (0.48) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL9506732 0.72 SMN1; SMN2 (0.62) NPSR1GAACFTRGOPCCYP2C9
SCHEMBL10745566 0.71 SMN1; SMN2 (0.69) NPSR1GAACFTRGOPCCYP2C9

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