SCHEMBL19998341

SCHEMBL19998341

C=C(C)C(=O)OCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3F)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 4/20 0.36
APP P05067 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAOA P21397 1/20 0.36
ELANE P08246 1/20 0.36
FEN1 P39748 1/20 0.35
RARB P10826 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
FAAH O00519 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.34
GRM2 Q14416 1/20 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
SCHEMBL19998339 0.96 MAOB (0.38) MAOBFFAR1FFAR4APPCYP2C19
SCHEMBL16140695 0.93 ELANE (0.39) MAOBFFAR1FFAR4APPCYP2C19
SCHEMBL16436111 0.93 ELANE (0.39) MAOBFFAR1FFAR4APPCYP2C19
SCHEMBL20664314 0.91 ELANE (0.40) MAOBFFAR1FFAR4APPCYP2C19
SCHEMBL20003203 0.88 RARB (0.39) FFAR4APPCYP2C19ELANERARB
SCHEMBL25943727 0.88 ELANE (0.46) APPCYP2C19ELANEAKR1C3AKR1C2
SCHEMBL22596433 0.87 FFAR1 (0.47) MAOBFFAR1FFAR4MAOAELANE
SCHEMBL26144160 0.86 ELANE (0.43) APPCYP2C19ELANEFEN1AKR1C3
SCHEMBL18194858 0.86 RARB (0.40) FFAR1FFAR4APPCYP2C19ELANE
SCHEMBL22596435 0.86 MAOB (0.50) MAOBFFAR1MAOAELANES1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086978-A1 LIQUID CRYSTAL ELEMENT AND METHOD OF PRODUCING THE SAME JSR CORPORATION (JP) 2018-03-29 US disclosed