SCHEMBL14372103

SCHEMBL14372103

O=C(C(Br)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.45
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
PTPN1 P18031 1/20 0.35
USP2 O75604 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CES2 O00748 2/20 0.33
HSD17B10 Q99714 2/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5077504 0.80 CES1 (0.43) CES1NPSR1RAB9ANPC1CA2
SCHEMBL9682227 0.77 CA2 (0.42) CES1NPSR1CA2CA4CA5A
SCHEMBL14372102 0.77 CES1 (0.41) CES1NPSR1RAB9ANPC1CA2
SCHEMBL9736806 0.69 CES1 (0.45) CES1RAB9ANPC1CA2CA4
SCHEMBL7358801 0.69 TSHR (0.45) CES1RAB9ANPC1PTPN1KMT2A
SCHEMBL10453294 0.69 TSHR (0.43) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1436220 0.69 CES1 (0.60) CES1RAB9ACA2CA4CA5A
SCHEMBL28837173 0.68 CA2 (0.40) NPSR1CA2CA4CA5AUSP2
Trifluoroacetic Acid SCHEMBL8535334 0.67 CES1 (0.52) CES1NPSR1RAB9ANPC1CA2
Water SCHEMBL3137210 0.67 CES1 (0.58) CES1RAB9ACA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244261-A1 Polyolefin Graft Copolymer, Composition and Method for Producing Same KANEKA CORPORATION (JP) 2007-10-18 US disclosed
US-20070244261-A1 Polyolefin Graft Copolymer, Composition and Method for Producing Same KANEKA CORPORATION (JP) 2007-10-18 US disclosed
EP-1762579-A1 POLYOLEFIN GRAFT COPOLYMER, COMPOSITION AND METHOD FOR PRODUCING SAME Kaneka Corporation (JP) 2007-03-14 EP disclosed