SCHEMBL5718031

SCHEMBL5718031

Cc1c(CC(=O)O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 1/20 0.64
TSHR P16473 3/20 0.57
BCHE P06276 1/20 0.55
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP1A2 P05177 1/20 0.53
THRB P10828 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
MAPT P10636 1/20 0.52
PTGS1 P23219 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 2/20 0.51
DPP4 P27487 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5209603 0.88 ALOX15 (0.60) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL1778502 0.85 ALDH1A1 (0.57) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL2966930 0.84 ALOX15 (0.63) ALOX15ALDH1A1TSHRBCHEPTGS2
4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 0.83 ALOX15 (0.62) ALOX15ALDH1A1TSHRBCHEPTGS2
4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 0.82 ALOX15 (0.60) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL4324895 0.82 ALOX15 (0.60) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL1780354 0.81 ALDH1A1 (0.59) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL28049673 0.81 BCHE (0.63) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL27853646 0.80 ALOX15 (0.54) ALOX15ALDH1A1TSHRBCHEPTGS2
SCHEMBL22689599 0.79 KDM4E (0.63) ALOX15ALDH1A1TSHRBCHEPTGS2

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-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed