SCHEMBL7966499

SCHEMBL7966499

C[C@H](Oc1ccc(-c2ccc(CC(=O)NC3CC3)cc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
LMNA P02545 1/20 0.43
ECE1 P42892 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 2/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
C3AR1 Q16581 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTAFR P25105 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GLS O94925 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
SCHEMBL7966497 1.00 SIGMAR1 (0.44) SIGMAR1LMNAECE1ALDH1A1MEN1
SCHEMBL8022664 0.92 C3AR1 (0.45) SIGMAR1C3AR1
SCHEMBL7978383 0.89 LMNA (0.46) LMNAECE1ALDH1A1ACACBPOLB
SCHEMBL7976785 0.89 ECE1 (0.48) LMNAECE1ALDH1A1ACACBPOLB
SCHEMBL7976781 0.89 ECE1 (0.48) LMNAECE1ALDH1A1ACACBPOLB
SCHEMBL7978380 0.89 LMNA (0.46) LMNAECE1ALDH1A1ACACBPOLB
SCHEMBL7979904 0.85 NAPRT (0.48) LMNAECE1POLBHPGDHTT
SCHEMBL7979905 0.85 NAPRT (0.48) LMNAECE1POLBHPGDHTT
SCHEMBL7979963 0.81 PTAFR (0.47) LMNAECE1EPHX2POLBHPGD
SCHEMBL7982544 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBHPGD

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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed