SCHEMBL9384155

SCHEMBL9384155

CCOC(=O)c1ccc(OCCC2CCN(c3nc4ccccc4o3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
LTA4H P09960 1/20 0.43

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
Hydrochloric Acid SCHEMBL9379751 0.81 KCNH2 (0.44) ALDH1A1POLBMAPTHTT
SCHEMBL5884812 0.79 LMNA (0.43) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5883853 0.77 ATP4A (0.42) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL16648797 0.77 MAPT (0.61) LMNAALDH1A1POLBMAPTSMN1; SMN2
Pirodavir SCHEMBL146440 0.76 HRH3 (0.46) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL9209752 0.76 HRH3 (0.44) LMNAALDH1A1MAPTHTT
SCHEMBL9218008 0.76 KDM4E (0.44) ALDH1A1MAPTHTT
SCHEMBL9380742 0.74 HTR1A (0.60) SMN1; SMN2TP53
SCHEMBL9381746 0.74 KCNH2 (0.44) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9381992 0.74 KCNH2 (0.50) ALDH1A1POLBMAPTHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398425-B1 Antirhinoviral piperidinyl, pyrrolidinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA NV (BE) 1994-03-16 EP disclosed
EP-0398425-A1 Antirhinoviral piperidinyl, pyrrolidinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed