SCHEMBL6950385

SCHEMBL6950385

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 5/20 0.51
ESR1 P03372 4/20 0.51
TSHR P16473 2/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
JMJD6 Q6NYC1 1/20 0.46
STS P08842 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL6948241 0.91 ESR1 (0.54) LMNAESR1TSHRTDP1STS
SCHEMBL128776 0.87 CA12 (0.53) LMNAALDH1A1ESR1TSHRKDM4E
SCHEMBL11331870 0.81 KDM4E (0.55) LMNAALDH1A1ESR1TSHRCHRM1
SCHEMBL6950073 0.79 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EJMJD6MAPT
SCHEMBL132053 0.78 LMNA (0.67) LMNAALDH1A1ESR1TSHRCHRM1
SCHEMBL130905 0.77 ALDH1A1 (0.58) LMNAALDH1A1ESR1TSHRCHRM1
SCHEMBL111664 0.75 LMNA (0.75) LMNAALDH1A1ESR1TSHRCHRM1
SCHEMBL6953920 0.75 ALDH1A1 (0.57) LMNAALDH1A1ESR1TSHRCHRM1
SCHEMBL49950 0.74 ALDH1A1 (0.84) LMNAALDH1A1ESR1TSHRCHRM1
SCHEMBL12756270 0.74 LMNA (0.67) LMNAALDH1A1ESR1TSHRCHRM1

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