SCHEMBL11642255

SCHEMBL11642255

CCCCN(OCC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
ESR1 P03372 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11586641 0.93 NPC1 (0.50) NPC1JAK2RAB9APAX8TP53
SCHEMBL11640872 0.93 NPC1 (0.50) NPC1JAK2RAB9APAX8TP53
SCHEMBL11587549 0.93 NPC1 (0.50) NPC1JAK2RAB9APAX8TP53
SCHEMBL9289411 0.88 TP53 (0.43) NPC1JAK2RAB9APAX8TP53
SCHEMBL11583718 0.87 LTA4H (0.43) NPC1JAK2RAB9APAX8TDP1
SCHEMBL11637359 0.82 TDP1 (0.42) NPC1JAK2RAB9APAX8TDP1
SCHEMBL11638360 0.80 NPC1 (0.45) NPC1JAK2RAB9APAX8TP53
SCHEMBL11639542 0.80 NPC1 (0.45) NPC1JAK2RAB9APAX8ESR1
SCHEMBL2211961 0.79 ALDH1A1 (0.38) NPC1RAB9ATDP1TP53MEN1
SCHEMBL1258403 0.79 TSHR (0.42) TDP1TP53MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1251759-C Biological degradable injectable bracket of modified hydrogel for use in cartilage tissue engineering UNIV TSINGHUA (CN) 2006-04-19 CN claimed
CN-1539385-A Biological degradable injectable bracket of modified hydrogel for use in cartilage tissue engineering 清华大学 2004-10-27 CN claimed
CN-1251759-C Biological degradable injectable bracket of modified hydrogel for use in cartilage tissue engineering UNIV TSINGHUA (CN) 2006-04-19 CN disclosed
CN-1539385-A Biological degradable injectable bracket of modified hydrogel for use in cartilage tissue engineering 清华大学 2004-10-27 CN disclosed
US-4076849-A AROMATIC SECONDARY AMINES CANADA PACKERS LIMITED (CA) 1978-02-28 US disclosed