SCHEMBL7845674

SCHEMBL7845674

CCCCCC1C(C(=O)O)=C(C)NC2=C1C(=O)CCC2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 14/20 0.64
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2576010 0.76 LMNA (0.50) FFAR3KDM4EHSD17B10TP53ALDH1A1
SCHEMBL8654462 0.75 ALDH1A1 (0.49) HSD17B10TP53ALDH1A1HPGDTSHR
SCHEMBL8654643 0.75 ALDH1A1 (0.49) HSD17B10TP53ALDH1A1HPGDTSHR
SCHEMBL8653231 0.75 ALDH1A1 (0.49) HSD17B10TP53ALDH1A1HPGDTSHR
SCHEMBL8652188 0.71 ALDH1A1 (0.51) FFAR3KDM4EHSD17B10TP53ALDH1A1
SCHEMBL7854160 0.70 FFAR3 (0.46) FFAR3KDM4EHSD17B10TP53ALDH1A1
SCHEMBL11313635 0.68 FFAR3 (0.46) FFAR3KDM4EHSD17B10TP53ALDH1A1
SCHEMBL5816251 0.68 KDM4E (0.57) FFAR3KDM4EHSD17B10TP53ALDH1A1
SCHEMBL5814814 0.68 KDM4E (0.60) FFAR3KDM4EHSD17B10TP53ALDH1A1
SCHEMBL7379538 0.67 SMN1; SMN2 (0.56) HSD17B10TP53ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665834-B1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ASTRAZENECA AB (SE) 2001-05-30 EP disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
EP-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed