SCHEMBL7982544

SCHEMBL7982544

C[C@H](Oc1ccc(-c2ccc(CC(=O)N3CCCC3)cc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
C3AR1 Q16581 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
PAX8 Q06710 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
F2 P00734 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 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
SCHEMBL7982543 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTFNTAFNTB
SCHEMBL8022664 0.92 C3AR1 (0.45) C3AR1
SCHEMBL7979904 0.85 NAPRT (0.48) SMN1; SMN2POLBHPGD
SCHEMBL7979905 0.85 NAPRT (0.48) SMN1; SMN2POLBHPGD
SCHEMBL7976781 0.85 ECE1 (0.48) ALDH1A1MAPTSMN1; SMN2POLBHPGD
SCHEMBL7976785 0.85 ECE1 (0.48) ALDH1A1MAPTSMN1; SMN2POLBHPGD
Oxalic Acid SCHEMBL7978632 0.83 MAPT (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7978380 0.83 LMNA (0.46) ALDH1A1MAPTSMN1; SMN2POLBHPGD
SCHEMBL7978383 0.83 LMNA (0.46) ALDH1A1MAPTSMN1; SMN2POLBHPGD
SCHEMBL7966499 0.81 SIGMAR1 (0.44) ALDH1A1MEN1KMT2AC3AR1HRH3

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