SCHEMBL30558299

SCHEMBL30558299

O=C(O)Cc1cccc(F)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.53
AKR1B1 P15121 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 6/20 0.46
ABCB11 O95342 3/20 0.43
PTGS1 P23219 3/20 0.43
LMNA P02545 1/20 0.43
ADORA1 P30542 1/20 0.43
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL25679309 1.00 CXCL8 (0.53) CXCL8AKR1B1TDP1PTGS2ABCB11
SCHEMBL31033368 0.81 FFAR1 (0.45) MEN1ALDH1A1KMT2AKEAP1
SCHEMBL286505 0.81 FFAR1 (0.45) MEN1ALDH1A1KMT2AKEAP1
SCHEMBL723768 0.80 CXCL8 (0.56) CXCL8AKR1B1TDP1PTGS2DUSP3
SCHEMBL2875381 0.80 AKR1B1 (0.52) CXCL8AKR1B1TDP1PTGS2ABCB11
SCHEMBL8645 0.79 CXCL8 (0.65) CXCL8AKR1B1TDP1PTGS2PTGS1
SCHEMBL29533621 0.79 CXCL8 (0.65) CXCL8AKR1B1TDP1PTGS2PTGS1
SCHEMBL25040843 0.78 CXCL8 (0.42) CXCL8AKR1B1TDP1CYP1A2
SCHEMBL1364609 0.78 GABRA1 (0.68) CXCL8AKR1B1TDP1PTGS2ABCB11
SCHEMBL30759635 0.78 CXCL8 (0.42) CXCL8AKR1B1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023155873-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PHARMACEUTICS 江苏恒瑞医药股份有限公司 2023-08-24 WO disclosed