SCHEMBL7906172

SCHEMBL7906172

COc1ccc(C(O)CN)cc1OCCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
SIGMAR1 Q99720 10/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL7919811 0.89 NFKB1 (0.55) NFKB1BLMPMP22SIGMAR1
SCHEMBL6586702 0.84 FFAR1 (0.45) PPARDPPARASIGMAR1FFAR1FFAR4
SCHEMBL7906188 0.81 PDE4B (0.56) NFKB1BLMPMP22SIGMAR1
SCHEMBL7914446 0.80 NFKB1 (0.60) NFKB1BLMPMP22PPARDPPARA
SCHEMBL1966507 0.79 NFKB1 (0.75) NFKB1BLMPMP22PPARDPPARA
SCHEMBL7148550 0.79 NFKB1 (0.75) NFKB1BLMPMP22PPARDPPARA
SCHEMBL15921910 0.79 NFKB1 (0.75) NFKB1BLMPMP22PPARDPPARA
SCHEMBL29633151 0.79 NFKB1 (0.75) NFKB1BLMPMP22PPARDPPARA
Hydrochloric Acid SCHEMBL8904803 0.78 BLM (0.76) NFKB1BLMPMP22PPARDPPARA
SCHEMBL7916052 0.76 NFKB1 (0.61) NFKB1BLMPMP22PPARDPPARA

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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed