SCHEMBL11279425

SCHEMBL11279425

CCCC(C)(C)C(=O)Oc1ccc(C(=O)CNC(C)C)cc1OC(=O)C(C)(C)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.47
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
ADRB2 P07550 1/20 0.36
ALOX15 P16050 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MGLL Q99685 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32

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 SCHEMBL11278676 0.99 ELANE (0.46) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL11631275 0.86 ALDH1A1 (0.49) ELANEALDH1A1LMNACYP3A4HIF1A
Hydrochloric Acid SCHEMBL11286111 0.85 ELANE (0.49) ELANEALDH1A1LMNACYP3A4HIF1A
Hydrochloric Acid SCHEMBL11633271 0.85 ADRB2 (0.50) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL11282072 0.82 ELANE (0.46) ELANEALDH1A1LMNACYP3A4HIF1A
Perchlorate SCHEMBL11631444 0.81 ALDH1A1 (0.44) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL11281656 0.81 ALOX15 (0.51) ALDH1A1CYP3A4HIF1AALOX15KDM4E
SCHEMBL11283973 0.78 HIF1A (0.58) ALDH1A1LMNACYP3A4HIF1AADRB2
Benzene SCHEMBL11284599 0.77 TSHR (0.56) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL11279715 0.77 ELANE (0.48) ELANEALDH1A1ADRB2KDM4EGAA

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
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