SCHEMBL3664908

SCHEMBL3664908

CCCCCN(CCCCC)c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PAX8 Q06710 2/20 0.38
GPX4 P36969 1/20 0.38
CYP3A4 P08684 3/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
TLR8 Q9NR97 1/20 0.37
MAPT P10636 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL1498662 0.98 TSHR (0.50) TSHRALDH1A1TP53NPC1RAB9A
SCHEMBL1498625 0.95 TSHR (0.45) TSHRALDH1A1TP53CYP3A4CASP1
SCHEMBL16617376 0.93 TSHR (0.45) TSHRALDH1A1TP53NPC1RAB9A
SCHEMBL16618123 0.92 TSHR (0.47) TSHRALDH1A1TP53NPC1RAB9A
SCHEMBL16617890 0.92 TSHR (0.47) TSHRALDH1A1TP53NPC1RAB9A
SCHEMBL16617357 0.91 TSHR (0.42) TSHRALDH1A1TP53CYP3A4CASP1
SCHEMBL16618153 0.88 CYP3A4 (0.44) TSHRALDH1A1TP53NPC1RAB9A
SCHEMBL10139683 0.87 CYP3A4 (0.42) TSHRALDH1A1TP53CYP3A4CASP1
SCHEMBL10490585 0.83 TSHR (0.49) TSHRALDH1A1TP53NPC1RAB9A
SCHEMBL10490559 0.83 TSHR (0.49) TSHRALDH1A1TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142496-B1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RES & ENG CO (US) 2013-04-17 EP disclosed
US-8080601-B2 Lubricating compositions containing ashless catalytic antioxidant additives EXXOMMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-12-20 US disclosed
EP-2142496-A1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES ExxonMobil Research and Engineering Company (US) 2010-01-13 EP disclosed
WO-2008121304-A1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-10-09 WO disclosed