SCHEMBL1496115

SCHEMBL1496115

Cc1cc(C(=O)O)ccc1CCC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
NPSR1 Q6W5P4 1/20 0.40
ACE2 Q9BYF1 1/20 0.38
MYC P01106 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
GRM1 Q13255 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
AVPR2 P30518 1/20 0.37
RXRA P19793 1/20 0.36
NR1H4 Q96RI1 3/20 0.36
RARB P10826 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1495911 0.86 ALDH1A1 (0.40) EPHX2TDP1AVPR2MAPTKDM4E
SCHEMBL27768217 0.86 LTB4R (0.39) EPHX2ACE2TSHRMEN1KMT2A
SCHEMBL3949995 0.85 PRSS1 (0.44) EPHX2NPSR1AVPR2
SCHEMBL3919054 0.84 EPHX2 (0.48) EPHX2NPSR1MYCESR1ALOX15
SCHEMBL27649850 0.83 AVPR2 (0.38) EPHX2NPSR1AVPR2NR1H4
SCHEMBL4678556 0.82 NQO2 (0.40) NPSR1
SCHEMBL27893911 0.82 MTNR1A (0.39) EPHX2ACE2TDP1MAPT
SCHEMBL1188159 0.81 TPMT (0.36) EPHX2NPSR1MAPTKDM4EALDH1A1
SCHEMBL5518254 0.80 NPSR1 (0.63) EPHX2NPSR1MYCESR1ALOX15
SCHEMBL19968716 0.79 HDAC8 (0.40) EPHX2TSHRRARB

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-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed