SCHEMBL9614110

SCHEMBL9614110

CCCCCCCCCCCCCCCCCC(C)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
ADRB2 P07550 4/20 0.33
TLR2 O60603 4/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRB3 P13945 1/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL9613857 0.80 MEN1 (0.45) ADRB2ALDH1A1ADRB3
SCHEMBL10929242 0.80 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5TLR2
SCHEMBL9614113 0.76 PLA2G2A (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10551620 0.73 PLA2G2A (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL909696 0.73 CA1 (0.38) MMP2MMP3
SCHEMBL10796999 0.72 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL10933731 0.72 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL14856058 0.72 KIF11 (0.41) ALDH1A1
SCHEMBL17443045 0.72 KIF11 (0.41) ALDH1A1
SCHEMBL14856176 0.72 KIF11 (0.41) ALDH1A1

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
US-5116992-A Antitumor SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1992-05-26 US disclosed