SCHEMBL4948728

SCHEMBL4948728

CCCOc1cc(C=O)ccc1OCC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
FDPS P14324 1/20 0.63
TACR2 P21452 1/20 0.61
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL11212209 1.00 ALDH1A1 (0.64) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL5882634 0.95 FDPS (0.69) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL13221144 0.92 ALDH1A1 (0.63) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL30159697 0.91 ALDH1A1 (0.73) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL493684 0.91 ALDH1A1 (0.73) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL7218110 0.91 FDPS (0.60) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL3632198 0.90 ALDH1A1 (0.61) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL13411409 0.90 FDPS (0.63) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL4940154 0.89 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL13221124 0.89 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031253-B1 PROCESS FOR PREPARING 3,4-SUBSTITUTED BENZALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP claimed
EP-0031253-A1 Process for preparing 3,4-substituted benzaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-01 EP claimed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-0031253-B1 PROCESS FOR PREPARING 3,4-SUBSTITUTED BENZALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP disclosed
US-4335263-A MANY STEPS, STARTING WITH ACETYLATION OF M-CRESOL OR P-CRESOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-15 US disclosed
EP-0031253-A1 Process for preparing 3,4-substituted benzaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-01 EP disclosed