SCHEMBL12047464

SCHEMBL12047464

CCCCOC(COCC)COCC(COCCCO)OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.45
LPAR3 Q9UBY5 7/20 0.45
LPAR2 Q9HBW0 4/20 0.45
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.39
TLR2 O60603 4/20 0.37
LPAR6 P43657 3/20 0.36
LPAR4 Q99677 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
PLA2G2A P14555 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 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
SCHEMBL12301807 1.00 LPAR1 (0.45) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12047460 1.00 LPAR1 (0.45) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12047466 0.97 LPAR1 (0.47) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12047468 0.97 LPAR1 (0.47) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12047457 0.93 TSHR (0.43) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12047469 0.91 LPAR1 (0.51) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL10028014 0.91 LPAR1 (0.51) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12301810 0.89 HSD17B10 (0.46) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12301812 0.88 TDP1 (0.42) LPAR1LPAR3LPAR2TSHRUSP2
SCHEMBL12047461 0.88 LPAR1 (0.42) LPAR1LPAR3LPAR2TSHRUSP2

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
US-8741283-B2 Adenosine deaminase anticancer therapy SIGMA-TAU RARE DISEASES, S.A. (PT) 2014-06-03 US disclosed
US-8071741-B2 Stable recombinant adenosine deaminase DEFIANTE FARMACEUTICA, S.A. (PT) 2011-12-06 US disclosed