SCHEMBL11420376

SCHEMBL11420376

O=C(O)C(O)(c1ccccc1)c1ccc2occ(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ CYP2C9 P11712 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ GSK3B P49841 5/20 0.40
▸ MAPT P10636 6/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 2/20 0.37

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
SCHEMBL11819605 0.77 NPC1 (0.49) POLBNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29183778 0.77 POLB (0.52) POLBNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11620715 0.74 POLB (0.59) POLBNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11419205 0.74 CYP2C9 (0.49) NPC1CYP2C9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22722990 0.72 CYP2C9 (0.96) POLBNPC1CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL22722991 0.72 CYP2C9 (0.96) POLBNPC1CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL22722997 0.72 CYP2C9 (0.96) POLBNPC1CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL11739975 0.71 NPC1 (0.62) POLBNPC1CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL1310721 0.71 PTPN1 (0.55) POLBNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11354983 0.70 GSK3B (0.64) POLBNPC1ALDH1A1SMN1; SMN2KDM4E

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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