SCHEMBL11159031

SCHEMBL11159031

CCOC(=O)C=C(Br)c1ccc(NCC2CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 6/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MMP13 P45452 1/20 0.36
POLB P06746 2/20 0.36
SSTR5 P35346 1/20 0.36
HTT P42858 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 2/20 0.35
LTA4H P09960 1/20 0.35
HDAC3 O15379 1/20 0.34

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
SCHEMBL11394437 0.79 LMNA (0.43) PTGER4MAPTCYP1A2HPGDCYP2C9
SCHEMBL11297553 0.78 MAPT (0.41) RAB9ANPC1MAPTTP53ALDH1A1
SCHEMBL11297551 0.78 MAPT (0.41) RAB9ANPC1MAPTTP53ALDH1A1
SCHEMBL11162713 0.77 RAB9A (0.59) PTGER4RAB9ANPC1MAPTCYP1A2
SCHEMBL11467331 0.76 CA1 (0.56) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL846845 0.75 CA12 (0.53) RAB9ANPC1CNR1CNR2KMT2A
SCHEMBL11156911 0.75 CA12 (0.53) RAB9ANPC1CNR1CNR2KMT2A
SCHEMBL11150941 0.73 CA12 (0.45) PTGER4RAB9AMAPTPOLBCNR2
SCHEMBL11155819 0.72 EPHX2 (0.40) PTGER4RAB9ANPC1MAPTHPGD
SCHEMBL9487727 0.72 MAPT (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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-4388459-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1983-06-14 US disclosed
US-4259352-A 4-[Cycloalkyl- or cycloalkenyl-amino(cycloalkyl- or cycloalkenyl-alkenyl)amino]phenyl compounds, useful as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed