SCHEMBL28429976

SCHEMBL28429976

O=C(O)c1cc(Br)cc(C(O)c2cc(F)cc(Br)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.42
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
HCAR2 Q8TDS4 2/20 0.37
POLB P06746 2/20 0.37
TTR P02766 2/20 0.36
PPARA Q07869 2/20 0.34
SRD5A2 P31213 2/20 0.32
SRD5A1 P18405 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31
TPMT P51580 2/20 0.31

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
SCHEMBL29759213 0.82 HCAR1 (0.59) HCAR1CES2CES1HCAR2POLB
SCHEMBL560207 0.82 HCAR1 (0.59) HCAR1CES2CES1HCAR2POLB
SCHEMBL22400614 0.81 NOTUM (0.50) CES2CES1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5226036 0.80 HCAR1 (0.57) HCAR1CES2CES1HCAR2POLB
SCHEMBL8271150 0.77 IDO1 (0.43) CES2CES1CA1CA2CA9
SCHEMBL22400377 0.77 TTR (0.35) HCAR1CES2CES1HCAR2POLB
SCHEMBL29639672 0.77 DAO (0.44) HCAR1HCAR2POLBTTRPPARA
SCHEMBL31408177 0.75 CA1 (0.46) TTRSRD5A2CA1CA2CA9
SCHEMBL3067961 0.75 POLB (0.38) HCAR1HCAR2POLBTTRSRD5A2
SCHEMBL3067954 0.75 POLB (0.38) HCAR1HCAR2POLBTTRSRD5A2

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-117624207-A Glucose-sensitive albumin binding derivatives 诺和诺德股份有限公司 2024-03-01 CN disclosed
CN-111315751-B Glucose-sensitive albumin binding derivatives 诺和诺德股份有限公司 2023-12-12 CN disclosed
CN-111315751-A Glucose-sensitive albumin binding derivatives 诺沃挪第克公司 2020-06-19 CN disclosed