SCHEMBL7825583

SCHEMBL7825583

CC1=CC(c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.49
CACNA1D Q01668 1/20 0.49
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCC9 O60706 5/20 0.39
ABCC8 Q09428 5/20 0.39
KCNJ11 Q14654 5/20 0.39
KCNJ8 Q15842 5/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR174 Q9BXC1 1/20 0.38

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
SCHEMBL7837406 0.86 FFAR3 (0.53) FFAR3CACNA1DALDH1A1KMT2AMEN1
SCHEMBL8876634 0.85 ALDH1A1 (0.58) FFAR3CACNA1DALDH1A1KMT2AMEN1
SCHEMBL7833823 0.83 CACNA1D (0.52) FFAR3CACNA1DALDH1A1KMT2AMEN1
SCHEMBL2451845 0.83 CACNA1D (0.69) FFAR3CACNA1DALDH1A1KMT2AMEN1
SCHEMBL7836338 0.78 ABCC9 (0.53) FFAR3CACNA1DALDH1A1LMNAKDM4E
SCHEMBL7839291 0.77 ABCC9 (0.55) CACNA1DALDH1A1LMNAABCC9ABCC8
SCHEMBL7833898 0.77 KDM4E (0.60) CACNA1DALDH1A1KMT2AMEN1LMNA
SCHEMBL7835689 0.76 ABCC9 (0.57) FFAR3CACNA1DALDH1A1KMT2AMEN1
SCHEMBL7837416 0.75 SMN1; SMN2 (0.61) CACNA1DALDH1A1KMT2AMEN1MAPT
SCHEMBL7823758 0.74 ABCC9 (0.53) FFAR3CACNA1DALDH1A1KMT2AMEN1

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 4 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
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed