SCHEMBL9502317

SCHEMBL9502317

CCC1(O)OC(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
GPR55 Q9Y2T6 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
TYMS P04818 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 4/20 0.43
CYP2C19 P33261 3/20 0.43

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
Acetic Acid SCHEMBL9529275 0.93 SMN1; SMN2 (0.47) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL21325292 0.83 NPSR1 (0.49) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL29502553 0.83 NPSR1 (0.49) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL6271326 0.83 NPSR1 (0.49) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL4028258 0.82 NPSR1 (0.49) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL9975204 0.81 CFTR (0.46) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL11848675 0.79 CFTR (0.47) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL9529272 0.78 TDP2 (0.47) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL4591907 0.77 CFTR (0.46) SMN1; SMN2CFTRGOPCMAPTLMNA
SCHEMBL21605709 0.77 ATM (0.41) SMN1; SMN2CFTRGOPCMAPTLMNA

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-0306096-B1 PROCESS FOR PREPARING DIPHENYL ETHERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-09 EP disclosed
US-4927945-A Process for preparing diphenyl ethers SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) 1990-05-22 US disclosed
EP-0306096-A1 Process for preparing diphenyl ethers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-08 EP disclosed