SCHEMBL11245003

SCHEMBL11245003

C=C(C)c1ccc(NCC2CO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
MTNR1A P48039 1/20 0.31
NAMPT P43490 3/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 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
SCHEMBL8981580 0.82 SMN1; SMN2 (0.42) KLK5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11241763 0.81 TDP1 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL244947 0.80 MAPT (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4271408 0.77 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL21401818 0.76 SMN1; SMN2 (0.39) KLK5SMN1; SMN2NPC1RAB9AALDH1A1
Water SCHEMBL28325020 0.75 L3MBTL1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9064071 0.74 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL10734594 0.73 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL7535852 0.73 LMNA (0.38) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL11702489 0.73 RAB9A (0.37) KLK5SMN1; SMN2NPC1RAB9AALDH1A1

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
US-4323662-A Thermosetting resin compositions comprising bismaleimides and alkenylaniline derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1982-04-06 US disclosed