SCHEMBL27468142

SCHEMBL27468142

O=C(C(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.53
CTSL P07711 4/20 0.53
FFAR1 O14842 1/20 0.48
POLB P06746 2/20 0.48
ABCB1 P08183 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
CYP19A1 P11511 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIN1 Q13526 1/20 0.41

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
SCHEMBL718146 0.86 CTSV (0.52) CTSVCTSLFFAR1POLBABCB1
SCHEMBL2671920 0.86 CTSV (0.52) CTSVCTSLFFAR1POLBABCB1
SCHEMBL29897031 0.86 CTSV (0.52) CTSVCTSLFFAR1POLBABCB1
SCHEMBL29896946 0.86 CTSV (0.52) CTSVCTSLFFAR1POLBABCB1
SCHEMBL718147 0.86 CTSV (0.52) CTSVCTSLFFAR1POLBABCB1
SCHEMBL12473681 0.83 POLB (0.53) CTSVCTSLFFAR1POLBABCB1
SCHEMBL28809922 0.81 CTSV (0.50) CTSVCTSLFFAR1POLBABCB1
SCHEMBL27755531 0.81 CTSV (0.50) CTSVCTSLFFAR1POLBABCB1
SCHEMBL27468143 0.81 POLB (0.48) CTSVCTSLFFAR1POLBABCB1
SCHEMBL7610300 0.81 CTSV (0.52) CTSVCTSLFFAR1POLBABCB1

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
CN-110627673-B Preparation method of formoterol key intermediate 上海天慈中商药业有限公司 2023-04-07 CN disclosed
CN-1156451-C Betz 2-adrenoceptor agonists ��˹��ŵ�� 2004-07-07 CN disclosed
CN-1353692-A Betz 2-adrenoceptor agonists NOVARTIS AG (CH) 2002-06-12 CN disclosed