SCHEMBL8074013

SCHEMBL8074013

BOc1cccc(CC=C)c1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.59
GABRB2 P47870 1/20 0.59
AKR1B1 P15121 1/20 0.46
ELANE P08246 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL5659189 0.85 GABRA1 (0.63) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL29455293 0.82 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL9268988 0.82 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL1245192 0.82 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL168974 0.80 GABRA1 (0.79) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL8622420 0.79 GABRA1 (0.56) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL10433454 0.79 KDM4E (0.56) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL30892337 0.78 GABRA1 (0.54) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL29258755 0.78 GABRA1 (0.54) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL10454511 0.78 GABRA1 (0.54) GABRA1GABRB2AKR1B1ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812194-B1 Use of substituted pyridine compounds for treating atopic dermatitis and contact dermatitis SMITHKLINE BEECHAM CORP (US) 2000-08-16 EP disclosed
US-5929096-A TREATING DISEASES ATTRIBUTING THEIR ORIGIN OR AFFECT TO LEUKOTRIENES, ANTIALLERGENS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
EP-0812194-A4 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORP (US) 1998-03-11 EP disclosed
EP-0812194-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-17 EP disclosed
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
WO-1996026725-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-06 WO disclosed
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
EP-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed
EP-0532621-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
EP-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP disclosed
WO-1991018883-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed