SCHEMBL29029437

SCHEMBL29029437

OCc1c(Oc2ccc(Br)c(Cc3ccccc3)c2CO)ccc(Br)c1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CALM1 P0DP23 1/20 0.37
TTR P02766 1/20 0.37
LTA4H P09960 2/20 0.35
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARA Q07869 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
HTT P42858 1/20 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
SCHEMBL29029452 0.84 ALDH1A1 (0.40) TSHRCALM1LTA4HRAB9ASMN1; SMN2
SCHEMBL7669757 0.80 CALM1 (0.44) TSHRCALM1LTA4HRAB9ASMN1; SMN2
SCHEMBL27507868 0.76 ESR1 (0.36) CALM1
SCHEMBL12295397 0.71 CALM1 (0.48) TSHRCALM1LTA4HBCL2BCL2L1
SCHEMBL16054535 0.71 CALM1 (0.42) TSHRCALM1L3MBTL1MEN1KMT2A
SCHEMBL27277755 0.71 IDH1 (0.45) TSHRCALM1LTA4H
SCHEMBL27674533 0.69 EPAS1 (0.36) CALM1L3MBTL1
SCHEMBL1204710 0.68 CALM1 (0.44) CALM1SMN1; SMN2BCL2BCL2L1
SCHEMBL28417332 0.67 DRD4 (0.39) TSHR
SCHEMBL7632931 0.67 BCL2 (0.45) CALM1BCL2BCL2L1MEN1KMT2A

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-109661387-B Composition for treating pulmonary fibrosis 维克图斯生物系统有限公司 2023-05-30 CN disclosed