SCHEMBL91900

SCHEMBL91900

CCCOc1cc(OCCC)c(-c2cc(F)c(C(=O)Oc3ccc4cc(C#N)ccc4c3)c(F)c2)c(OCCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.36
SLC6A9 P48067 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MMP2 P08253 2/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL13863880 0.84 FFAR1 (0.36) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL91922 0.78 AKR1C3 (0.38) L3MBTL1CYP1A2FFAR1
SCHEMBL13186058 0.76 L3MBTL1 (0.44) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL13863856 0.76 FFAR1 (0.34) LMNAKMT2AL3MBTL1CYP1A2MAPK1
SCHEMBL13186042 0.73 LMNA (0.44) MAPTLMNAKMT2AL3MBTL1CYP1A2
SCHEMBL91833 0.73 RXFP1 (0.33) PPARDFFAR1
SCHEMBL14640143 0.72 LMNA (0.43) MAPTLMNAKMT2AL3MBTL1CYP1A2
SCHEMBL13186040 0.72 LMNA (0.43) MAPTLMNAKMT2AL3MBTL1CYP1A2
SCHEMBL13186055 0.71 FAAH (0.46) MAPTLMNAKMT2AL3MBTL1CYP1A2
SCHEMBL10605034 0.71 NPC1 (0.57) MAPTLMNATP53KMT2ACYP1A2

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-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed