SCHEMBL8748732

SCHEMBL8748732

COc1ccc(C(=O)O)c(C)c1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
PDE4D Q08499 12/20 0.50
PDE4B Q07343 11/20 0.50
PDE4A P27815 11/20 0.50
PDE4C Q08493 10/20 0.50
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK14 Q16539 1/20 0.41
PDE5A O76074 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
SCHEMBL8684364 0.89 PDE4B (0.50) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL2425023 0.80 MAPT (0.68) KMT2AMAPTTDP1POLB
SCHEMBL30466426 0.80 MAPT (0.68) KMT2AMAPTTDP1POLB
SCHEMBL27906537 0.79 PDE4A (0.46) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL3680848 0.79 PDE4D (0.54) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6876868 0.79 PDE4A (0.44) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL31535282 0.78 KMT2A (0.50) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3634070 0.78 KMT2A (0.50) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL3677096 0.77 PDE4D (0.49) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL4364149 0.77 PDE4B (0.53) KMT2APDE4DPDE4BPDE4APDE4C

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-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5340827-A Phenylcarboxamide compounds which have useful pharmaceutical activity CELLTECH, LIMITED (GB) 1994-08-23 US disclosed