SCHEMBL7299393

SCHEMBL7299393

CC(Oc1ccc(Cl)c(C(=O)O)c1Cl)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.40
AVPR1A P37288 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL8561072 0.77 ALDH1A1 (0.47) ALDH1A1ELANEKMT2ATSHRKDM4E
SCHEMBL7288793 0.73 ALDH1A1 (0.61) ALDH1A1HTTL3MBTL1ELANEMAPT
SCHEMBL7414653 0.72 ALDH1A1 (0.60) ALDH1A1HTTL3MBTL1ELANEMAPT
SCHEMBL5043169 0.69 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDNPSR1L3MBTL1
SCHEMBL8564952 0.69 ALDH1A1 (0.61) ALDH1A1HPGDHTTL3MBTL1ELANE
SCHEMBL11186403 0.68 KMT2A (0.56) ALDH1A1NPSR1HTTMAPTKMT2A
SCHEMBL6689255 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDNPSR1KMT2A
SCHEMBL16370936 0.63 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDHTTAVPR1A
SCHEMBL7532980 0.63 KDM4E (0.54) ALDH1A1SMN1; SMN2HTTL3MBTL1ELANE
SCHEMBL7509476 0.63 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed