SCHEMBL8312959

SCHEMBL8312959

CNC(=O)C1=CC(CF)(CF)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CFTR P13569 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL8316122 0.91 EPHX2 (0.30)
SCHEMBL8317123 0.88
SCHEMBL7091070 0.86 ALDH1A1 (0.46) ALDH1A1HTTMRGPRX4POLBLMNA
SCHEMBL7094132 0.86 CFTR (0.41) KDM4EALDH1A1SMN1; SMN2HTTMRGPRX4
SCHEMBL8315164 0.86 CTSL (0.32)
SCHEMBL7093856 0.85 PTGDR2 (0.33) KDM4EALDH1A1TRPV1CYP2C9CYP2C19
SCHEMBL6270480 0.85 PTGS1 (0.38) KDM4EALDH1A1CYP2C19
SCHEMBL6557451 0.84 PTGDR2 (0.33) KDM4EALDH1A1CYP2C9
SCHEMBL8793997 0.84 KDM4E (0.36) KDM4EHTTRXFP1MRGPRX4TLR2
SCHEMBL6557433 0.84 ALDH1A1 (0.33) KDM4EALDH1A1MRGPRX4

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-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed