SCHEMBL4758585

SCHEMBL4758585

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(Br)cc2F)C(C(=O)O)=C1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.37
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP2K1 Q02750 1/20 0.34
AKR1B1 P15121 1/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.32
MYC P01106 1/20 0.32
NR4A1 P22736 1/20 0.32
TSHR P16473 2/20 0.32
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL4757298 0.90 ALDH1A1 (0.37) FPR2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL4089582 0.83 KMT2A (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL4755316 0.82 HCAR2 (0.36) ALDH1A1KMT2AMEN1TSHR
SCHEMBL4758273 0.79 CNR1 (0.39) FPR2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL4757277 0.78 TSHR (0.34) ALDH1A1TSHR
SCHEMBL5458967 0.77 MAPT (0.39) FPR2ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4758299 0.72 LMNA (0.42) ALDH1A1KMT2APKMMEN1TSHR
SCHEMBL11390110 0.72 TDP1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3395257 0.70 MEN1 (0.41) ALDH1A1KMT2AAKR1B1MEN1NR4A1
SCHEMBL4757307 0.68 DGAT1 (0.33) FPR2ALDH1A1KMT2APKMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed