SCHEMBL7858891

SCHEMBL7858891

CC(=O)N(I)c1ccc(O)c(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ENPP2 Q13822 1/20 0.37
▸ DRD3 P35462 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CLK1 P49759 5/20 0.33
▸ DYRK1A Q13627 5/20 0.33
▸ TNF P01375 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL9755080 0.85 CSNK2A1 (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL26800 0.75 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL10865352 0.70 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL322274 0.69 PKM (0.52) CHUKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29803190 0.69 PKM (0.52) CHUKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL551783 0.69 SMN1; SMN2 (0.54) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL552239 0.69 CSNK2A1 (0.67) CHUKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1163541 0.68 CA12 (0.64) CHUKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10781901 0.68 CA12 (0.64) CHUKKDM4EALDH1A1HSD17B10HPGD
SCHEMBL894682 0.66 KDM4E (0.69) CHUKKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741734-B1 PHENYLBORONIC ACID COMPLEXES PROLINX INC (US) 2001-04-04 — — EP disclosed
US-6008406-A Phenylboronic acid complexing reagents derived from aminosalicylic acid PROLINX, INC. (US) 1999-12-28 — — US disclosed
US-5688928-A Phenylboronic acid complexing reagents derived from aminosalicylic acid PROLINX, INC. (US) 1997-11-18 — — US disclosed
US-5668258-A Phenylboronic acid complexing reagents derived from aminosalicylcic acid PROLINX, INC. (US) 1997-09-16 — — US disclosed
US-5668257-A Phenylboronic acid complexing reagents derived from aminolalicylic acid PROLINX, INC. (US) 1997-09-16 — — US disclosed
US-5648470-A Phenylboronic acid complexing reagents derived from aminosalicyclic acid PROLINX, INC. (US) 1997-07-15 — — US disclosed
US-5594151-A Phenylboronic acid complexing reagents derived from aminosalicylic acid PROLINX, INC. (US) 1997-01-14 — — US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 — — EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 — — WO disclosed
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