SCHEMBL8798494

SCHEMBL8798494

CC(O)c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
GPR3 P46089 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
WDR5 P61964 1/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CETP P11597 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
P2RX1 P51575 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL12133982 0.88 THRA (0.44) PDE2AGPR3ALDH1A1THRATHRB
SCHEMBL27798052 0.82 TRPV1 (0.42) PDE2AGPR3TRPV1TOP2ATOP2B
SCHEMBL21835655 0.81 PDE2A (0.46) PDE2AGPR3TRPV1ALDH1A1CETP
SCHEMBL7165587 0.80 ADRA1A (0.50) PDE2A
SCHEMBL18290665 0.79 PDE2A (0.60) PDE2AGPR3
SCHEMBL14570523 0.78 GAA (0.50) ALDH1A1THRBMAPTL3MBTL1
SCHEMBL24445841 0.75 GPR3 (0.48) GPR3TRPV1WDR5P2RX1MAPT
SCHEMBL7691095 0.75 APP (0.43) PDE2AGPR3TRPV1WDR5APP
SCHEMBL13220714 0.74 PDE2A (0.50) PDE2AGPR3ALDH1A1KIF11
SCHEMBL370445 0.74 ESR1 (0.45) GPR3WDR5MAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514942-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1997-03-05 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 US disclosed
US-5236935-A Hypotensive agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-08-17 US disclosed
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed