SCHEMBL6091563

SCHEMBL6091563

C#Cc1ccc(SCC=C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.33
ICMT O60725 1/20 0.32
GMNN O75496 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CDK2 P24941 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
HDAC8 Q9BY41 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
SCHEMBL9189810 0.77 CA2 (0.41) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL6092776 0.77 ADK (0.34) METAP2PPARDPPARA
SCHEMBL4313725 0.77 ALDH1A1 (0.48) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL5846711 0.76 SMN1; SMN2 (0.44) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL9856252 0.76 METAP2 (0.35) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL9856231 0.74 CA2 (0.44) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL9856019 0.73 ALDH1A1 (0.35) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL30586333 0.72 SLC6A4 (0.42) MAOAMAOBHDAC8
SCHEMBL9856324 0.71 ALDH1A1 (0.47) METAP2CYP3A4RECQLMAOBPPARD
SCHEMBL21750687 0.69 GAA (0.61) LMNAPOLBCYP3A4MAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006040644-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED THIOCHROMAN DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2006-04-20 WO disclosed