SCHEMBL6030591

SCHEMBL6030591

C[C@@H](OP(O[C@H](C)c1ccccc1)O[C@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
TAAR1 Q96RJ0 4/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA2B P18089 1/20 0.39
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL6030120 1.00 HCAR2 (0.41) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL6029814 1.00 HCAR2 (0.41) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL9330586 0.87 HCAR2 (0.41) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL5953984 0.83 LTB4R (0.39) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL9330578 0.81 HCAR2 (0.39) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL6029816 0.81 HCAR2 (0.43) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL6030122 0.81 HCAR2 (0.43) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL30782955 0.81 HCAR2 (0.43) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL18978766 0.81 HCAR2 (0.43) HCAR2TAAR1ADRA2AADRA2CADRA2B
SCHEMBL6030593 0.81 HCAR2 (0.43) HCAR2TAAR1ADRA2AADRA2CADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057061-B2 Chiral monophosphorus compounds BAYER AKTIENGESELLSCHAFT (DE) 2006-06-06 US claimed
US-20030119664-A1 Chiral monophosphorus compounds LANXESS DEUTSCHLAND GMBH (DE) 2003-06-26 US claimed
US-7057061-B2 Chiral monophosphorus compounds BAYER AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-20030119664-A1 Chiral monophosphorus compounds LANXESS DEUTSCHLAND GMBH (DE) 2003-06-26 US disclosed