SCHEMBL3908308

SCHEMBL3908308

COC(=O)c1cc(Cl)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
KDM4E B2RXH2 3/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL67540 0.86 ALDH1A1 (0.62) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL475746 0.86 CA1 (0.61) CA1CA2ALDH1A1HPGDSMN1; SMN2
Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 0.86 CA1 (0.61) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL588343 0.86 ALDH1A1 (0.62) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1188720 0.82 TPMT (0.61) CA1CA2HPGDKDM4ECA12
SCHEMBL30251625 0.82 TPMT (0.61) CA1CA2HPGDKDM4ECA12
SCHEMBL986399 0.82 HPGD (0.44) HPGDMAPTKDM4EGAAPOLB
SCHEMBL1188363 0.82 LMNA (0.47) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL30597928 0.82 ALDH1A1 (0.45) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL28543503 0.82 ALDH1A1 (0.45) CA1CA2ALDH1A1HPGDSMN1; SMN2

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-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed