SCHEMBL11289627

SCHEMBL11289627

CCC(C)(C)CC(=O)Oc1cc(C(=O)CNC(C)C)ccc1OC(=O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
PDE4D Q08499 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL11290478 0.80 ALOX15 (0.47) ALOX15PDE4DPDE4APDE4BPDE4C
SCHEMBL11281656 0.80 ALOX15 (0.51) ALOX15MEN1KMT2AALDH1A1KDM4E
SCHEMBL11289625 0.79 ALOX15 (0.46) ALOX15PDE4DPDE4APDE4BPDE4C
SCHEMBL11288774 0.79 ALOX15 (0.44) ALOX15PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11284037 0.79 ADRB2 (0.49) ALOX15MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11276281 0.78 ALOX15 (0.49) ALOX15PDE4DPDE4APDE4BPDE4C
SCHEMBL11631275 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL11290476 0.77 ALOX15 (0.41) ALOX15PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11633271 0.77 ADRB2 (0.50) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL11279425 0.75 ELANE (0.47) ALOX15PDE4DPDE4APDE4BPDE4C

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-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed