SCHEMBL11545009

SCHEMBL11545009

O=C(CCCBr)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
CYP19A1 P11511 1/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
ELANE P08246 1/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL11185382 0.92 PRSS1 (0.62) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL4997061 0.92 PRSS1 (0.62) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL3441517 0.90 PRSS1 (0.50) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL44568 0.90 PRSS1 (0.62) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL43233 0.90 PRSS1 (0.67) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL25297232 0.88 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL20564639 0.88 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL21879662 0.88 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL43568 0.88 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL3680357 0.88 PRSS1 (0.70) PRSS1PRSS2PRSS3EGFRERBB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684254-A Chemiluminescent probe for detecting ester hydrolase, preparation method and application thereof 南京工业大学 2025-03-25 CN claimed
CN-119684254-A Chemiluminescent probe for detecting ester hydrolase, preparation method and application thereof 南京工业大学 2025-03-25 CN disclosed
CN-112473593-A Automatic production line of 2-4 bromomethyl phenyl propionic acid 贵州天豪民族药业有限公司 2021-03-12 CN disclosed
CN-112473593-A Automatic production line of 2-4 bromomethyl phenyl propionic acid 贵州天豪民族药业有限公司 2021-03-12 CN disclosed
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed