SCHEMBL7699445

SCHEMBL7699445

CCOC(=O)C1=Cc2cccc(N3CCCC3=O)c2OCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
PKM P14618 1/20 0.36
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7381790 0.85 ALDH1A1 (0.39) HSD17B10GAAALDH1A1MEN1LMNA
SCHEMBL7385262 0.82 PIK3CA (0.44) HSD17B10GAAUSP2ALDH1A1MEN1
SCHEMBL7378299 0.82 ALDH1A1 (0.35) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL7385154 0.79 ALDH1A1 (0.43) HSD17B10GAANPC1RAB9ARXFP1
SCHEMBL7385304 0.79 MAPT (0.39) GAANPC1RAB9ARXFP1ALDH1A1
SCHEMBL7696668 0.78 CA12 (0.48) HSD17B10GAANPC1RAB9AALDH1A1
SCHEMBL7699846 0.78 TSHR (0.46) HSD17B10GAARAB9AUSP2ALDH1A1
Hydrochloric Acid SCHEMBL7696887 0.78 SLC9A1 (0.34) HSD17B10GAANPC1RAB9AALDH1A1
SCHEMBL7386364 0.77 CA12 (0.37) HSD17B10GAAALDH1A1TSHRKMT2A
SCHEMBL7698997 0.77 CYP4F2 (0.41) GAAALDH1A1TSHRKMT2ACYP1A2

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
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed