SCHEMBL2487912

SCHEMBL2487912

O=C(O)CCCCCc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
F13A1 P00488 3/20 0.55
PTGER1 P34995 1/20 0.53
PTGFR P43088 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LTB4R Q15722 4/20 0.49

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
SCHEMBL30427741 1.00 MAPT (0.59) MAPTRXFP1F13A1PTGER1PTGFR
SCHEMBL13492011 1.00 MAPT (0.59) MAPTRXFP1F13A1PTGER1PTGFR
SCHEMBL29462363 0.93 HDAC3 (0.57) MAPTRXFP1PTGER1PTGFRMEN1
SCHEMBL1265758 0.93 HDAC3 (0.57) MAPTRXFP1PTGER1PTGFRMEN1
SCHEMBL29444401 0.85 MEN1 (0.59) PTGER1MEN1ALDH1A1KMT2ATAAR1
SCHEMBL246473 0.85 MEN1 (0.59) PTGER1MEN1ALDH1A1KMT2ATAAR1
SCHEMBL22826566 0.85 MAPT (0.67) MAPTRXFP1F13A1HDAC3HDAC4
SCHEMBL30428005 0.84 FFAR4 (0.49) MAPTRXFP1F13A1MEN1ALDH1A1
SCHEMBL22826567 0.81 MAPT (0.62) MAPTRXFP1F13A1PTGER1HDAC3
SCHEMBL15637935 0.80 MPO (0.53) PTGER1PTGFRMEN1ALDH1A1KMT2A

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
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed