SCHEMBL8674544

SCHEMBL8674544

O=S(=O)(F)Cc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.58
▸ HSPA5 P11021 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ PRTN3 P24158 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ AKR1B1 P15121 1/20 0.48
▸ TSHR P16473 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.43
▸ CA12 O43570 6/20 0.42
▸ CA2 P00918 6/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ CA1 P00915 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ MPO P05164 1/20 0.41
▸ KEAP1 Q14145 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
SCHEMBL7938423 0.82 HSPA5 (0.54) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL1245772 0.80 HSPA5 (0.52) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL4712987 0.80 HSPA5 (0.52) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL29432666 0.80 HSPA5 (0.52) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL10887755 0.78 HSPA5 (0.50) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL11036278 0.78 HSPA5 (0.50) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL10887766 0.78 HSPA5 (0.50) MGLLHSPA5AKR1B1TSHRCYP2D6
Formaldehyde SCHEMBL28042523 0.77 HSPA5 (0.48) MGLLHSPA5AKR1B1TSHRCYP2D6
SCHEMBL7899861 0.74 FAAH (0.50) MGLLFAAHPRSS1PRSS2ELANE
Sulfuric Acid SCHEMBL17027917 0.74 HSPA5 (0.50) MGLLHSPA5AKR1B1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767337-A SELECTIVELY BREEDING TRANSGENIC MICE EXPRESSING DIFFERENT APOLIPOPROTEIN E ISOFORM DUKE UNIVERSITY (US) 1998-06-16 — — US disclosed
EP-0842271-A1 TRANSGENIC \"KNOCK OUT\" MICE EXPRESSING A HUMAN APOLIPOPROTEIN E DUKE UNIVERSITY (US) 1998-05-20 — — EP disclosed
WO-1997005247-A1 TRANSGENIC 'KNOCK OUT' MICE EXPRESSING A HUMAN APOLIPOPROTEIN E DUKE UNIVERSITY (US) 1997-02-13 — — WO disclosed
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