SCHEMBL6453675

SCHEMBL6453675

COCOc1ccccc1C(C(N)=O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 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
SCHEMBL6452038 0.80 ALDH1A1 (0.39) HPGDALDH1A1KMT2ATSHRKDM4E
SCHEMBL6449684 0.78 ALDH1A1 (0.36) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL28202626 0.76 KDM4E (0.47) KMT2AMEN1TSHRKDM4ELMNA
SCHEMBL14862759 0.73 KMT2A (0.45) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL2751914 0.69 METAP2 (0.51) ALDH1A1KCNH2CYP2D6
SCHEMBL5051927 0.69 MEN1 (0.59) KMT2AMEN1TSHRCYP3A4CHRM2
SCHEMBL3639348 0.69 MEN1 (0.59) KMT2AMEN1TSHRCYP3A4CHRM2
SCHEMBL14453324 0.69 MEN1 (0.59) KMT2AMEN1TSHRCYP3A4CHRM2
SCHEMBL14453320 0.69 MEN1 (0.59) KMT2AMEN1TSHRCYP3A4CHRM2
SCHEMBL8618823 0.68 CTSS (0.43)

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-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed