SCHEMBL9080910

SCHEMBL9080910

O=CCCC(=O)Cc1cccc(Sc2ccc(F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HTR2C P28335 1/20 0.35
HTR6 P50406 1/20 0.35
VNN1 O95497 1/20 0.34
DHODH Q02127 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TERT O14746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7621182 0.77 GAA (0.44) VNN1EGFRERBB2KMT2AALDH1A1
SCHEMBL8711809 0.77 FFAR4 (0.45) MAPK1VNN1MEN1KMT2ACYP1A2
SCHEMBL8983934 0.73 MAPT (0.31) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL24890434 0.70 L3MBTL1 (0.51) MAPK1VNN1MEN1KMT2ACYP2C9
SCHEMBL8783743 0.68 AKR1B1 (0.57) HTR2CHTR6KMT2ACYP1A2CYP2C9
SCHEMBL8526128 0.67 SLC6A4 (0.41) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3966352 0.67 MAOA (0.46) MEN1KMT2ATERTCYP1A2CYP2C9
SCHEMBL29572439 0.67 MAOA (0.46) MEN1KMT2ATERTCYP1A2CYP2C9
SCHEMBL10547697 0.66 ENPP2 (0.42) HTR2CHTR6MEN1KMT2AMAPT
SCHEMBL9082463 0.66 HTR2C (0.42) MAPK1HTR2CHTR6MEN1KMT2A

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
EP-0736006-A1 PHENYLTHIOPHENYL CYCLOALKENYL HYDROXYUREAS AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-10-09 EP disclosed
WO-1995017379-A1 PHENYLTHIOPHENYL CYCLOALKENYL HYDROXYUREAS AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1995-06-29 WO disclosed