SCHEMBL4757323

SCHEMBL4757323

CC1=C(C(=O)O)C(C)(c2ccc(Cl)cc2Cl)C(C(=O)O)=C(C)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
NOTUM Q6P988 2/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MYC P01106 2/20 0.36
NR4A1 P22736 1/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4758043 0.82 CRHBP (0.40) SMN1; SMN2NOTUMLMNAMEN1POLB
SCHEMBL3393583 0.77 TSHR (0.40) SMN1; SMN2TSHRNOTUMLMNAMEN1
SCHEMBL3394019 0.75 CCR2 (0.43) TSHRNOTUMSLC6A3SRD5A2
SCHEMBL4758286 0.70 TSHR (0.36) SMN1; SMN2TSHRCASP1HCAR2NOTUM
SCHEMBL3391587 0.69 KDM4E (0.44) SMN1; SMN2MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL3394045 0.68 MEN1 (0.34) TSHRCASP1LMNAMEN1POLB
SCHEMBL4939279 0.66 PTGDR2 (0.37) SMN1; SMN2TSHRCASP1HCAR2NOTUM
SCHEMBL4756140 0.63 CRHBP (0.35) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL11487945 0.63 SLC6A3 (0.37) SMN1; SMN2CASP1HCAR2LMNAPOLB
SCHEMBL5533178 0.62 HCAR2 (0.39) SMN1; SMN2TSHRCASP1HCAR2NOTUM

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