SCHEMBL8862053

SCHEMBL8862053

CCCCCCCCCCCCOc1ccc(CO)nc1C=CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.53
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
S1PR3 Q99500 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
SCHEMBL8862049 1.00 LTB4R (0.53) LTB4RCNR1CNR2ALDH1A1HPGD
SCHEMBL27447110 0.89 LTB4R (0.52) LTB4RCNR1CNR2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8862113 0.88 LTB4R (0.51) LTB4RCNR1CNR2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8862116 0.88 LTB4R (0.51) LTB4RCNR1CNR2ALDH1A1HPGD
SCHEMBL8862066 0.85 LTB4R (0.47) LTB4RCNR1CNR2ALDH1A1HPGD
SCHEMBL8862061 0.85 LTB4R (0.47) LTB4RCNR1CNR2ALDH1A1HPGD
SCHEMBL8699765 0.83 LTB4R (0.61) LTB4R
SCHEMBL8699763 0.83 LTB4R (0.61) LTB4R
SCHEMBL9493047 0.82 LTB4R (0.48) LTB4RCNR1CNR2PTPN1
SCHEMBL7022628 0.82 LTB4R (0.60) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP disclosed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed