SCHEMBL7979904

SCHEMBL7979904

CC(Oc1ccc(-c2ccc(CC(=O)O)cc2)cc1)C(O)CCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 2/20 0.43
ECE1 P42892 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP12 P39900 4/20 0.42
MMP13 P45452 2/20 0.41
PTAFR P25105 2/20 0.41
TBXAS1 P24557 7/20 0.41
ADAMTS4 O75173 1/20 0.41

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
SCHEMBL7979905 1.00 NAPRT (0.48) NAPRTLMNAECE1POLBHPGD
SCHEMBL7966197 0.89 PTAFR (0.42) LMNAECE1POLBHPGDHTT
SCHEMBL7978664 0.89 PTAFR (0.42) LMNAECE1POLBHPGDHTT
SCHEMBL7976881 0.89 PTAFR (0.42) LMNAECE1POLBHPGDHTT
SCHEMBL7977066 0.89 PTAFR (0.42) LMNAECE1POLBHPGDHTT
SCHEMBL7976863 0.89 PTAFR (0.42) LMNAECE1POLBHPGDHTT
SCHEMBL7980129 0.89 PTAFR (0.42) LMNAECE1POLBHPGDHTT
SCHEMBL7978383 0.89 LMNA (0.46) LMNAECE1POLBHPGDHTT
SCHEMBL7976785 0.89 ECE1 (0.48) LMNAECE1POLBHPGDHTT
SCHEMBL7978380 0.89 LMNA (0.46) LMNAECE1POLBHPGDHTT

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