SCHEMBL9197261

SCHEMBL9197261

CCCCOC(=O)NC(=O)NC(=O)OCCCC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
ALDH1A1 P00352 1/20 0.54
ACHE P22303 14/20 0.53
ATM Q13315 1/20 0.50
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL590532 0.91 EPHX1 (0.59) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL590531 0.84 EPHX1 (0.53) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL28436498 0.84 EPHX1 (0.53) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL7447192 0.84 EPHX1 (0.53) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL9395279 0.84 EPHX1 (0.53) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL11627977 0.84 ALDH1A1 (0.58) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL5138408 0.84 EPHX1 (0.69) EPHX1ALDH1A1ACHE
SCHEMBL6866097 0.83 EPHX1 (0.52) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL4451188 0.83 RAB9A (0.61) EPHX1ALDH1A1ACHEATMHPGD
SCHEMBL5936326 0.82 EPHX1 (0.73) EPHX1ACHETSHR

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
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed