SCHEMBL28570432

SCHEMBL28570432

Cc1c(Cl)ccc2cc(C(=O)O)cnc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.50
MGAM O43451 1/20 0.45
SLC22A12 Q96S37 5/20 0.44
ALK Q9UM73 1/20 0.44
PPARA Q07869 1/20 0.44
NAPRT Q6XQN6 1/20 0.42
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
MAPT P10636 1/20 0.38
KMO O15229 1/20 0.38
RORC P51449 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL29450070 0.83 ALK (0.62) PSMD14MGAMSLC22A12ALKNAPRT
SCHEMBL352513 0.83 ALK (0.62) PSMD14MGAMSLC22A12ALKNAPRT
SCHEMBL24358238 0.81 PSMD14 (0.50) PSMD14MGAMSLC22A12ALKNAPRT
SCHEMBL1087851 0.81 PSMD14 (0.64) PSMD14MGAMNAPRTTSHRHCAR2
SCHEMBL31058237 0.81 PSMD14 (0.64) PSMD14MGAMNAPRTTSHRHCAR2
SCHEMBL19021343 0.81 KDM4E (0.47) PSMD14MGAMSLC22A12ALKNAPRT
SCHEMBL14649419 0.79 CCR1 (0.66) PSMD14MGAMSLC22A12HCAR2CCR1
SCHEMBL4155829 0.78 PSMD14 (0.65) PSMD14MGAMSLC22A12ALKNAPRT
SCHEMBL6888604 0.76 CCR1 (0.67) PSMD14ALKPPARACCR1CCR5
SCHEMBL7025162 0.76 CCR1 (0.45) PSMD14ALKPPARATSHRCCR1

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
CN-112939858-B Process for separating quinmerac and its isomer 北京颖泰嘉和生物科技股份有限公司 2023-03-28 CN disclosed
CN-112939858-A Process for separating quinmerac and its isomer 北京颖泰嘉和生物科技股份有限公司 2021-06-11 CN disclosed