SCHEMBL7253793

SCHEMBL7253793

CCOC(=O)COc1ccc(CCNC2c3ccc(Cl)cc3OC(C)(C)C2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABCB1 P08183 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
Hydrochloric Acid SCHEMBL7253668 0.88 ADRB3 (0.44) HTTGAALMNAMAPTABCB1
SCHEMBL7258446 0.78 HTT (0.40) HTTGAAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7253752 0.73 KCNA5 (0.41) MAPT
SCHEMBL7253745 0.73 KCNE1 (0.41) HTTGAAKDM4EALDH1A1HPGD
SCHEMBL6273355 0.72 KCNA5 (0.52) ABCB1
SCHEMBL6279178 0.72 KCNA5 (0.46) GAALMNAMAPTABCB1
SCHEMBL5868360 0.72 KCNA5 (0.46) GAALMNAMAPTABCB1
SCHEMBL5868365 0.72 KCNA5 (0.46) GAALMNAMAPTABCB1
SCHEMBL5868352 0.72 KCNA5 (0.52) ABCB1
SCHEMBL5868348 0.72 KCNA5 (0.52) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO claimed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO disclosed
Send feedback