SCHEMBL11284347

SCHEMBL11284347

CCCCCCCCC=CCCCCCCCC(=O)Oc1cc(C(CNC(C)(C)C)CS(=O)(=O)O)ccc1OC(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 4/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TBXAS1 P24557 2/20 0.37
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 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
SCHEMBL11284349 0.90 FAAH (0.39) FAAHMAPTALDH1A1MEN1HPGD
SCHEMBL11289778 0.88 FAAH (0.39) FAAHMAPTALDH1A1MEN1HPGD
SCHEMBL11283807 0.84 ALOX15 (0.45) ALDH1A1KMT2ALMNANPC1ALOX15
SCHEMBL11287417 0.84 ALOX15 (0.45) ALDH1A1KMT2ALMNANPC1ALOX15
SCHEMBL11288390 0.84 ALOX15 (0.45) ALDH1A1KMT2ALMNANPC1ALOX15
SCHEMBL11288888 0.83 FAAH (0.43) FAAHMAPTALDH1A1MEN1HPGD
Alcohol SCHEMBL11284343 0.78 ALOX15 (0.38) FAAHMAPTALDH1A1MEN1HPGD
SCHEMBL11288886 0.77 ALOX15 (0.43) FAAHMAPTALDH1A1MEN1HPGD
SCHEMBL11290106 0.75 TBXA2R (0.40) MEN1KMT2ANPC1ALOX15
SCHEMBL11279271 0.75 ALDH1A1 (0.47) ALDH1A1LMNAALOX15POLMPOLK

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