SCHEMBL30835130

SCHEMBL30835130

Brc1cccc(-c2cccc(-c3ccccc3OCc3ccccc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ PTGER4 P35408 4/20 0.46
▸ PTGER3 P43115 4/20 0.46
▸ PTGER2 P43116 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ BRD4 O60885 3/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 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
SCHEMBL19831018 1.00 PTGER1 (0.49) PTGER1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30835033 0.85 PTGER1 (0.52) PTGER1MAOBPTGER4PTGER3PTGER2
SCHEMBL28600748 0.85 PTGER1 (0.52) PTGER1MAOBPTGER4PTGER3PTGER2
SCHEMBL28609452 0.84 PTGER1 (0.51) PTGER1MAOBPTGER4PTGER3PTGER2
SCHEMBL30835112 0.84 PTGER1 (0.51) PTGER1MAOBPTGER4PTGER3PTGER2
SCHEMBL19831014 0.82 MAOB (0.54) PTGER1MAOBPTGER4PTGER3PTGER2
SCHEMBL19830909 0.81 MEN1 (0.53) PTGER1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30835096 0.81 MEN1 (0.53) PTGER1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19830897 0.81 BRD4 (0.51) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL30835031 0.81 BRD4 (0.51) PTGER1PTGER4PTGER3PTGER2BRD4

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-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 — — CN disclosed
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