SCHEMBL28337080

SCHEMBL28337080

COc1ccccc1C(C)C(=O)OBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LPAR1 Q92633 3/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
ACHE P22303 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 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
SCHEMBL5541713 0.85 LPAR1 (0.49) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL19024635 0.82 L3MBTL1 (0.46) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL27534818 0.81 KMT2A (0.52) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL11263712 0.81 KMT2A (0.49) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL27779762 0.81 KMT2A (0.45) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL8473051 0.79 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL15695551 0.79 PTGS1 (0.51) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL362211 0.79 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL7885098 0.79 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL16811751 0.79 ITGA4 (0.47) KMT2APOLBHTTNPSR1L3MBTL1

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
CN-105143170-B For treating the aromatic compounds of pulmonary fibrosis, liver fibrosis, fibrosis of skin and cardiac fibrosis being substituted 普罗米蒂克医药SMT有限公司 2019-11-08 CN disclosed