SCHEMBL9812166

SCHEMBL9812166

CC(OB(O)O)(c1ccc(F)cc1)C(C)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
KCNN4 O15554 3/20 0.33
HSD11B1 P28845 1/20 0.33
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8006481 0.81 ALDH1A1 (0.42) KMT2AMAPTMAPK1KCNN4ALDH1A1
SCHEMBL26430113 0.68 ACHE (0.41) SMN1; SMN2RAB9AMEN1KMT2ANPC1
Tromethamine SCHEMBL9812164 0.66 S1PR1 (0.35) KCNN4
SCHEMBL8006476 0.64 MAPK1 (0.43) KMT2AMAPTMAPK1KCNN4ALDH1A1
SCHEMBL29403139 0.64 HSD11B1 (0.57) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL1835626 0.64 RAB9A (0.48) SMN1; SMN2RAB9AMEN1KMT2ANPC1
Boric Acid SCHEMBL28141379 0.64 ORAI1 (0.48) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL13655569 0.64 ACHE (0.41) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL8071364 0.64 HSD11B1 (0.52) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL11024025 0.64 KMT2A (0.56) SMN1; SMN2RAB9AMEN1KMT2ANPC1

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
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 EP disclosed