SCHEMBL3935979

SCHEMBL3935979

CCCCCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCCCCC)cc3)c3c2C2c4ccccc4C3c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
NR5A1 Q13285 1/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC2A1 P11166 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
TSHR P16473 2/20 0.40
PLA2G4B P0C869 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL3924700 0.88 LTA4H (0.48) LTA4HNR5A1TP53NPC1LMNA
SCHEMBL28942158 0.80 LTA4H (0.66) LTA4HNR5A1TP53LMNACHRNB2
SCHEMBL10300046 0.80 NR5A1 (0.66) LTA4HNR5A1TP53NPC1LMNA
SCHEMBL15559300 0.80 NR5A1 (0.66) LTA4HNR5A1TP53NPC1LMNA
SCHEMBL28328005 0.78 LTA4H (0.68) LTA4HNR5A1TP53CHRNB2CHRNB4
SCHEMBL5710109 0.75 NR5A1 (0.56) LTA4HNR5A1TP53NPC1LMNA
SCHEMBL29390021 0.75 NR5A1 (0.59) LTA4HNR5A1TP53NPC1LMNA
SCHEMBL3923942 0.75 MEN1 (0.42) LTA4HTP53LMNAGAAMAPT
SCHEMBL22911528 0.75 LTA4H (0.48) LTA4HNR5A1TP53CHRNB2CHRNB4
SCHEMBL28942149 0.75 LTA4H (0.66) LTA4HNR5A1TP53LMNACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313785-B1 COMPOSITION COMPRISING IPTYCENE POLYMERS WITH HIGH INTERNAL VOLUME MASSACHUSETTS INST TECHNOLOGY (US) 2009-04-01 EP disclosed
US-7494698-B2 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-24 US disclosed
US-20080188634-A1 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-08-07 US disclosed
US-20040170775-A1 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-02 US disclosed
US-6783814-B2 GRAFT POLYMER OF POROUS POLYMER AND INTERPENETRATING POLYMER NETWORK MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
WO-2002016463-A9 POLYMERS WITH HIGH INTERNAL FREE VOLUME MASSACHUSETTS INST TECHNOLOGY (US) 2003-04-03 WO disclosed
US-20020150697-A1 Polymers with high internal free volume NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA 2002-10-17 US disclosed