SCHEMBL7769550

SCHEMBL7769550

CC(O)C(N)(Oc1ccccc1)[C@H](C)CC(c1ccc(NS(C)(=O)=O)cc1)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
ADRB2 P07550 6/20 0.43
ADRB1 P08588 6/20 0.43
ADRB3 P13945 6/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.42
BLM P54132 1/20 0.42
NR3C2 P08235 1/20 0.41
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.39
KIF11 P52732 1/20 0.39
PTGS2 P35354 1/20 0.37

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 SCHEMBL7768572 0.82 GLA (0.41) LMNAMEN1KMT2AGLANPC1
SCHEMBL7772529 0.82 SMN1; SMN2 (0.47) LMNAMEN1KMT2ANPC1HPGD
Hydrochloric Acid SCHEMBL7769436 0.79 RAB9A (0.51) LMNAKDM4EMEN1KMT2ANPC1
SCHEMBL7769549 0.72 ADRB2 (0.52) PGRADRB2ADRB1ADRB3LMNA
SCHEMBL6321975 0.71 LMNA (0.51) PGRADRB2ADRB1ADRB3LMNA
SCHEMBL6322046 0.70 ADRB3 (0.63) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL6322039 0.70 ADRB3 (0.63) ADRB2ADRB1ADRB3MEN1KMT2A
Hydrochloric Acid SCHEMBL7769501 0.68 KMT2A (0.39) KDM4EKMT2ASMN1; SMN2
SCHEMBL7701751 0.68 ADRB3 (0.66) PGRADRB2ADRB1ADRB3LMNA
SCHEMBL9654060 0.68 LMNA (0.38) PGRADRB2ADRB1ADRB3LMNA

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-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed