SCHEMBL8147442

SCHEMBL8147442

COc1cccc2c1OC1(CCCC1C(N)=O)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7909791 0.70 KMT2A (0.42) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL5784672 0.70 PDE4A (0.40) LMNANPC1KMT2ARAB9A
SCHEMBL2378171 0.66 LMNA (0.60) ALDH1A1LMNANPC1KMT2ARAB9A
Bicarbonate SCHEMBL7360481 0.66 NPC1 (0.47) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL7846691 0.64 NPC1 (0.46) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL5786283 0.63 NPC1 (0.44) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL10996648 0.63 LMNA (0.71) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL23304994 0.62 SIGMAR1 (0.39) LMNANPC1KMT2ARAB9A
SCHEMBL9928158 0.61 HPGD (0.51) LMNANPC1KMT2ARAB9A
SCHEMBL11104349 0.61 ALDH1A1 (0.39) ALDH1A1NPC1KMT2ARAB9A

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-6043263-A (2,3-dihydrobenzofuranyl)-thiazoles as phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
US-6011037-A Thiazole derivatives with phosphodiesterase-inhibiting action BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-04 US disclosed