SCHEMBL4758044

SCHEMBL4758044

C=CCN1C(C)=C(C(=O)O)C(CC=C)(c2ccc(Br)cc2)C(C(=O)O)=C1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 7/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL4935850 0.90 NPC1 (0.37) CNR1ALDH1A1SMN1; SMN2USP2GAA
SCHEMBL4755325 0.76 ALDH1A1 (0.37) ALDH1A1USP2GAAKMT2AMAPT
SCHEMBL4758273 0.75 CNR1 (0.39) CNR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL4939279 0.74 PTGDR2 (0.37) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL4755336 0.69 LMNA (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
SCHEMBL5454280 0.65 CYP19A1 (0.44) CNR1ALDH1A1GAAKMT2AMAPK1
SCHEMBL4757333 0.61 OPRM1 (0.36) ALDH1A1SMN1; SMN2GAAKMT2AATM
SCHEMBL4758337 0.61 HSD11B1 (0.36) TSHRAKR1B1
SCHEMBL27500920 0.61 CNR1 (0.58) CNR1ALDH1A1GAAKMT2AKDM4E
SCHEMBL4757277 0.59 TSHR (0.34) ALDH1A1KDM4ETSHRLMNA

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