SCHEMBL9720161

SCHEMBL9720161

CCCCCCCCCCCCCCCCCCOCC(COCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.41
PLA2G10 O15496 3/20 0.41
PLA2G1B P04054 3/20 0.41
PLA2G5 P39877 3/20 0.41
TK2 O00142 7/20 0.36
KIF11 P52732 1/20 0.35
DUT P33316 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LTA4H P09960 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33

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
SCHEMBL9716423 0.90 PLA2G2A (0.37) PLA2G2APLA2G10PLA2G1BPLA2G5TK2
SCHEMBL10552104 0.82 USP2 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5TK2
SCHEMBL10553963 0.82 USP2 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5TK2
SCHEMBL10554072 0.82 USP2 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5TK2
SCHEMBL10553120 0.82 USP2 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5TK2
Hydrochloric Acid SCHEMBL10385000 0.81 PRKD3 (0.55) PLA2G2APRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL10385534 0.81 PRKD3 (0.55) PLA2G2APRKD3PRKCGPRKCBPRKCA
SCHEMBL10385452 0.80 MEN1 (0.54) PLA2G2A
SCHEMBL9720214 0.80 MEN1 (0.54) PLA2G2A
SCHEMBL10556515 0.79 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5TK2

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-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed