SCHEMBL6948522

SCHEMBL6948522

CCCOC(=O)c1[c]c(C(=O)OCCC)ccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 2/20 0.56
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
STS P08842 1/20 0.41
MAOB P27338 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 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
SCHEMBL6946454 0.89 TSHR (0.61) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL131249 0.84 CA12 (0.57) ALDH1A1LMNATSHRESR1CYP3A4
SCHEMBL130905 0.80 ALDH1A1 (0.58) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9197058 0.80 TSHR (0.54) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL4722815 0.79 ALDH1A1 (0.51) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL12984487 0.78 ALDH1A1 (0.50) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL6950100 0.76 ALDH1A1 (0.59) ALDH1A1LMNATSHRTDP1CHRM1
SCHEMBL4721065 0.75 ALDH1A1 (0.47) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL111664 0.74 LMNA (0.75) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9196323 0.74 CA12 (0.55) ALDH1A1LMNATSHRESR1CYP3A4

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-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed