SCHEMBL22017029

SCHEMBL22017029

C=CCc1cc(CC=C)cc(NC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH2 P05091 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TNKS O95271 2/20 0.34

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
SCHEMBL11134234 0.81 TGM2 (0.43) XDHMEN1KMT2AGABRA1GABRB2
SCHEMBL11786434 0.74 XDH (0.41) XDHMEN1KMT2AGABRA1GABRB2
SCHEMBL13347366 0.74 AKR1B1 (0.43) XDHMEN1KMT2AGABRA1GABRB2
SCHEMBL215399 0.73 XDH (0.50) XDHMEN1KMT2AGABRA1GABRB2
SCHEMBL5831309 0.69 XDH (0.41) XDHMEN1KMT2AGABRA1GABRB2
SCHEMBL20819433 0.69 MAPT (0.46) MEN1KMT2AGAAMAPTHPGD
Ammonia Solution, Strong SCHEMBL20873165 0.69 GPR35 (0.42) MEN1KMT2AMAPTNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL11155158 0.69 GPR35 (0.42) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL2161624 0.68 XDH (0.39) XDHMEN1KMT2AGABRA1GABRB2
SCHEMBL20819288 0.68 CYP2C19 (0.53) XDHMEN1KMT2AALDH1A1KDM4E

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-11542407-B2 Fluorinated ether compound, fluorinated ether composition, coating liquid, article and its production method AGC Inc. (JP) 2023-01-03 US disclosed
US-20200157376-A1 FLUORINATED ETHER COMPOUND, FLUORINATED ETHER COMPOSITION, COATING LIQUID, ARTICLE AND ITS PRODUCTION METHOD AGC Inc. (JP) 2020-05-21 US disclosed