SCHEMBL9685147

SCHEMBL9685147

CCCCNC(=O)c1ccc(CCCN(CC(O)COc2ccccc2)CC(O)COc2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.46
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MITF O75030 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL9685156 1.00 ACKR3 (0.46) ACKR3POLBNPSR1KDM4EMAPK1
SCHEMBL9685400 0.86 ADRB1 (0.47) CYP1A2CYP2D6RAB9ANPC1USP2
SCHEMBL9684113 0.85 KDM4E (0.47) POLBNPSR1KDM4EMAPK1TDP1
SCHEMBL9684101 0.85 KDM4E (0.47) POLBNPSR1KDM4EMAPK1TDP1
SCHEMBL9684278 0.83 KDM4E (0.46) POLBNPSR1KDM4EMAPK1TDP1
SCHEMBL9684273 0.83 KDM4E (0.46) POLBNPSR1KDM4EMAPK1TDP1
SCHEMBL9787231 0.81 MAPK1 (0.52) POLBNPSR1KDM4EMAPK1TDP1
SCHEMBL9787234 0.81 MAPK1 (0.52) POLBNPSR1KDM4EMAPK1TDP1
SCHEMBL9684886 0.77 ALDH1A1 (0.47) POLBNPSR1MAPK1ALDH1A1CYP1A2
SCHEMBL9684893 0.77 ALDH1A1 (0.47) POLBNPSR1MAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed