SCHEMBL3603052

SCHEMBL3603052

C[Si](C)(C)C#Cc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
ALPG P10696 2/20 0.44
NPC1 O15118 5/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 4/20 0.41
VNN1 O95497 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8049735 0.91 ALDH1A1 (0.43) LTA4HSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL3348361 0.85 GRM5 (0.43) APPNPC1RAB9AFFAR1
SCHEMBL3604322 0.85 VNN1 (0.44) LTA4HSMN1; SMN2LMNAALDH1A1ALPG
SCHEMBL8037855 0.84 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1NPC1TDP1
SCHEMBL7717354 0.83 LTA4H (0.57) LTA4HAPPSMN1; SMN2LMNAALDH1A1
SCHEMBL7715045 0.83 LTA4H (0.57) LTA4HAPPSMN1; SMN2LMNAALDH1A1
SCHEMBL7716924 0.83 LTA4H (0.57) LTA4HAPPSMN1; SMN2LMNAALDH1A1
SCHEMBL712228 0.83 GRM5 (0.46) APPFFAR1
SCHEMBL6132177 0.80 PTPN11 (0.50) ALDH1A1TDP1RAB9AHPGDKDM4E
SCHEMBL14908434 0.80 RAB9A (0.51) SMN1; SMN2LMNAALDH1A1NPC1TDP1

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-7678873-B1 Acetylene-terminated hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2010-03-16 US disclosed