SCHEMBL11419205

SCHEMBL11419205

O=C(O)C(O)(c1ccccc1)c1ccc2oc(Br)c(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34

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
SCHEMBL11419779 0.81 CYP2C9 (0.44) CYP2C9L3MBTL1GABRPGABRDGABRA1
SCHEMBL11621151 0.75 TTR (0.54) L3MBTL1ALDH1A1HPGDRAB9ANPC1
SCHEMBL11420376 0.74 POLB (0.52) CYP2C9CYP2D6HIF1AALDH1A1HPGD
SCHEMBL11553906 0.72 GAA (0.46) L3MBTL1ALDH1A1HPGDMAPTTSHR
SCHEMBL11547910 0.70 L3MBTL1 (0.53) L3MBTL1ALDH1A1HPGDMAPTRAB9A
SCHEMBL11555027 0.70 FFAR1 (0.55) L3MBTL1CYP2D6ALDH1A1MAPTPKM
SCHEMBL11555034 0.70 PTGS2 (0.49) CYP2C9L3MBTL1HIF1AALDH1A1HPGD
SCHEMBL22722997 0.70 CYP2C9 (0.96) CYP2C9CYP2D6HIF1AALDH1A1MAPT
SCHEMBL22722991 0.70 CYP2C9 (0.96) CYP2C9CYP2D6HIF1AALDH1A1MAPT
SCHEMBL22722990 0.70 CYP2C9 (0.96) CYP2C9CYP2D6HIF1AALDH1A1MAPT

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
US-4208335-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1980-06-17 — — US disclosed
US-4143154-A ANTI-MICROBIAL 2-NITRO-3-PHENYL BENZOFURANS SUBSTITUTED BY CARBOXY CONTAINING GROUP RIKER LABORATORIES, INC. (US) 1979-03-06 — — US disclosed
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