SCHEMBL7466818

SCHEMBL7466818

CCOC(=O)[C@@H]1CCCN(CCOC2c3cc(Cl)ccc3OCOc3ccc(Cl)cc32)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 8/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL7476670 0.88 SLC6A12 (0.48)
SCHEMBL7474726 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDTDP1
Hydrochloric Acid SCHEMBL7468764 0.87 SLC6A12 (0.48)
SCHEMBL8720397 0.82 KDM4E (0.54) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL7478560 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBHPGDTDP1
SCHEMBL7473981 0.78 ALDH1A1 (0.46) ALDH1A1KDM4E
SCHEMBL7473056 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDTDP1
SCHEMBL8173592 0.74 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1TSHRSMN1; SMN2
SCHEMBL7471275 0.74 SLC6A1 (0.55)
Acetic Acid SCHEMBL7473986 0.74 SLC6A1 (0.53)

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-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
US-6017915-A Heterocyclic compounds NOVO NORDISK A/S (DK) 2000-01-25 US disclosed
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed