SCHEMBL8318733

SCHEMBL8318733

CC1=C(C(=O)O)C(c2ccc(Cl)cc2)C(C(=O)O)=C2CCCN12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ABCC1 P33527 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR7 P34969 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE5A O76074 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL8326076 0.96 HPGD (0.42) HPGDNPSR1KDM4ESMN1; SMN2ABCC1
SCHEMBL8321662 0.84 KDM4E (0.38) HPGDKDM4EPOLBGAATSHR
SCHEMBL8322440 0.78 CYP2C9 (0.38) HPGDNPSR1KDM4EGAATSHR
SCHEMBL9217592 0.75 NPSR1 (0.69) HPGDNPSR1KDM4ESMN1; SMN2ABCC1
SCHEMBL8468645 0.73 HPGD (0.43) HPGDNPSR1KDM4ESMN1; SMN2POLB
SCHEMBL8321061 0.73 HPGD (0.41) HPGDNPSR1KDM4ESMN1; SMN2POLB
SCHEMBL8323999 0.71 ELANE (0.39) HPGDKDM4EPOLBGAATSHR
SCHEMBL8319794 0.68 POLB (0.47) HPGDNPSR1KDM4EPOLBGAA
SCHEMBL8562368 0.67 HPGD (0.46) HPGDNPSR1KDM4ESMN1; SMN2ABCC1
SCHEMBL9312804 0.67 ABCC1 (0.65) HPGDNPSR1KDM4ESMN1; SMN2ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717043-B1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1999-11-10 EP claimed