SCHEMBL6607678

SCHEMBL6607678

COc1ccc(C)nc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
PDE4A P27815 8/20 0.43
PDGFRB P09619 3/20 0.43
PDGFRA P16234 3/20 0.43
PDE4B Q07343 8/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
RECQL P46063 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL2905574 0.82 PDE4A (0.42) FFAR4PDE4APDGFRBPDGFRAPDE4B
SCHEMBL23207662 0.79 GPR6 (0.38) PDE4APDE4BS1PR1S1PR3
SCHEMBL30350700 0.79 FFAR4 (0.40) FFAR4PDE4APDGFRBPDGFRAPDE4B
SCHEMBL2910247 0.79 FFAR4 (0.40) FFAR4PDE4APDGFRBPDGFRAPDE4B
SCHEMBL26151328 0.79 MCHR1 (0.46) FFAR4PDE4APDGFRBPDGFRAPDE4B
SCHEMBL16334172 0.78 LRRK2 (0.39) POLB
SCHEMBL70397 0.77 KDM4E (0.53) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL24042899 0.76 MCHR1 (0.42) PDE4APDGFRBPDGFRAPDE4BPDE4C
SCHEMBL10304986 0.76 RAB9A (0.45)
SCHEMBL25510507 0.75 LRRK2 (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed