SCHEMBL7837574

SCHEMBL7837574

CC(C)CC1=CC(c2ccccc2)C2=C(CCCC2=O)N1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 2/20 0.60
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GPR174 Q9BXC1 6/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR3 O14843 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7837751 0.83 KMT2A (0.48) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL2451845 0.79 CACNA1D (0.69) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL7838059 0.70 MEN1 (0.51) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL7817258 0.70 GPR174 (0.72) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL8876634 0.69 ALDH1A1 (0.58) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL2443968 0.68 CACNA1D (0.57) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL7833823 0.67 CACNA1D (0.52) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL15976552 0.66 ALDH1A1 (0.74) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL7835486 0.66 KMT2A (0.52) CACNA1DALDH1A1MEN1KMT2AGPR174
SCHEMBL7823758 0.66 ABCC9 (0.53) CACNA1DALDH1A1MEN1KMT2AGPR174

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