SCHEMBL29469604

SCHEMBL29469604

COc1c(Br)cc(Br)c(Br)c1Oc1ccc(Br)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 8/20 0.64
▸ ALOX12 P18054 5/20 0.64
▸ CA2 P00918 2/20 0.58
▸ CA4 P22748 2/20 0.58
▸ MAPK1 P28482 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TUBB1 Q9H4B7 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TUBB4A P04350 1/20 0.36

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
SCHEMBL29469598 0.80 ALOX15 (0.64) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL30109400 0.79 MAPK1 (0.64) ALOX15ALOX12CA2CA4MAPK1
SCHEMBL29469597 0.79 ALOX15 (0.67) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL30298319 0.78 ALOX15 (0.76) ALOX15ALOX12CA2CA4MAPK1
SCHEMBL14938506 0.78 ALOX15 (0.75) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL29406894 0.78 ALOX15 (0.75) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL29469601 0.75 MAPK1 (0.71) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL811943 0.73 MAPK1 (0.65) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL29697819 0.73 MAPK1 (0.65) ALOX15ALOX12MAPK1ALDH1A1TDP1
SCHEMBL899494 0.73 MAPK1 (1.00) ALOX15ALOX12MAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11908550-B2 Method for determining different PBDEs derivatives from their response to activities of enoyl-ACP reductase NANJING UNIVERSITY (CN) 2024-02-20 — — US claimed
CN-112233730-B Construction method for distinguishing effect model of PBDEs derivative on activity of enoyl-ACP reductase 南京大学 2023-11-28 — — CN claimed
US-20220119850-A1 Method for determining different PBDEs derivatives from their response to activities of enoyl-ACP reductase NANJING UNIVERSITY (CN) 2022-04-21 — — US claimed
US-11908550-B2 Method for determining different PBDEs derivatives from their response to activities of enoyl-ACP reductase NANJING UNIVERSITY (CN) 2024-02-20 — — US disclosed
CN-112233730-B Construction method for distinguishing effect model of PBDEs derivative on activity of enoyl-ACP reductase 南京大学 2023-11-28 — — CN disclosed
US-20220119850-A1 Method for determining different PBDEs derivatives from their response to activities of enoyl-ACP reductase NANJING UNIVERSITY (CN) 2022-04-21 — — US disclosed
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