SCHEMBL5533759

SCHEMBL5533759

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(OC)cc2Cl)C(C(=O)O)=C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
TDP1 Q9NUW8 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
HSD17B10 Q99714 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GLA P06280 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 3/20 0.34
PIM1 P11309 2/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
CLK1 P49759 2/20 0.34
CLK3 P49761 2/20 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
SCHEMBL4089582 0.86 KMT2A (0.39) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL4757355 0.80 PYGM (0.39) ALDH1A1GRIN1GRIN2AGRIN2BHTT
SCHEMBL31506469 0.80 CA1 (0.39) KDM4EALDH1A1TSHRRAB9AMAPT
SCHEMBL4757340 0.72 NOTUM (0.34) CCR2L3MBTL1
SCHEMBL4757333 0.72 OPRM1 (0.36) ALDH1A1HPGDTSHRCCR2NPSR1
SCHEMBL31195695 0.72 ELANE (0.40) KDM4EALDH1A1TSHRRAB9AGLA
SCHEMBL11390110 0.68 TDP1 (0.37) KDM4ETDP1ALDH1A1HPGDNPSR1
SCHEMBL4758337 0.67 HSD11B1 (0.36) TSHRCCR2OPRM1
SCHEMBL295414 0.63 SMN1; SMN2 (0.57) KDM4EALDH1A1HPGDTSHRRAB9A
Hydrochloric Acid SCHEMBL11848402 0.62 AKR1C3 (0.55) KDM4EHPGDTSHRRAB9AMAPT

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
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