SCHEMBL28818283

SCHEMBL28818283

O=C(O)CCCNCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
TSHR P16473 3/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
PRMT1 Q99873 1/20 0.39
CAMK2A Q9UQM7 1/20 0.37
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
ADRA1A P35348 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36

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
SCHEMBL22716360 0.86 LMNA (0.36) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL10247191 0.78 LMNA (0.42) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL112741 0.78 LMNA (0.59) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL27006782 0.77 CA3 (0.48) CA3CA5ACA5BCA12CA2
SCHEMBL345581 0.77 EGLN1 (0.33) LMNASLC22A6
SCHEMBL19177664 0.76 S1PR1 (0.33) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1741769 0.76 LMNA (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11896840 0.76 LMNA (0.56) LMNASLC22A6TSHRNFKB1PMP22
Hydrochloric Acid SCHEMBL16057049 0.75 EGLN1 (0.32) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2468753 0.74 LMNA (0.53) LMNASLC22A6TSHRNFKB1PMP22

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
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed