SCHEMBL3916693

SCHEMBL3916693

Cc1cccc(CC=O)c1-c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
CTSA P10619 1/20 0.36
MAPK14 Q16539 3/20 0.36
SLC9A1 P19634 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARG P37231 2/20 0.32
AR P10275 1/20 0.32
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PARP1 P09874 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
SCHEMBL3908257 0.84 GNRHR (0.40) MAPTSMN1; SMN2ALDH1A1GAATAAR1
SCHEMBL3907788 0.81 TAAR1 (0.49) S1PR2S1PR4MAPK14SLC9A1KMT2A
SCHEMBL3905360 0.79 GNRHR (0.34) CTSAMAPTSMN1; SMN2P2RX7ALDH1A1
SCHEMBL3907818 0.79 AR (0.41) ARALDH1A1GAATAAR1
SCHEMBL5050611 0.72 MYC (0.44) ALDH1A1TAAR1
SCHEMBL3907470 0.71 GABRG2 (0.36) MEN1KMT2A
SCHEMBL3907196 0.71 S1PR2 (0.39) S1PR2S1PR4CTSAMAPTSMN1; SMN2
SCHEMBL2562083 0.71 P2RX7 (0.38) MEN1KMT2AMAPTSMN1; SMN2P2RX7
SCHEMBL2556847 0.71 SLC6A4 (0.36) MEN1KMT2AP2RX7ALDH1A1
SCHEMBL6927858 0.71 MPO (0.35) KMT2AALDH1A1GAATAAR1

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed