SCHEMBL7122516

SCHEMBL7122516

CCCCCCCCCCCCOP(=O)(ON(CCCCCCCC)CCCCCCCC)ON(CCCCCCCC)CCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
LPAR3 Q9UBY5 8/20 0.50
LPAR2 Q9HBW0 6/20 0.50
LPAR1 Q92633 3/20 0.50
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC25A P30304 1/20 0.41
AGTR1 P30556 1/20 0.41
AKT1 P31749 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL28883083 0.96 CYP3A4 (0.52) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29233003 0.93 CYP3A4 (0.57) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28359477 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28355532 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28355521 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL23698924 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28359325 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28355559 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28355875 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28034818 0.84 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP claimed
US-5997761-A Refrigerating machine oil composition IDEMITSU KOSAN CO., LTD. (JP) 1999-12-07 US claimed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP claimed
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP disclosed
US-5997761-A Refrigerating machine oil composition IDEMITSU KOSAN CO., LTD. (JP) 1999-12-07 US disclosed
US-5858266-A CONTAINING A HYDROFLUOROCARBON, A PHOSPHOROUS COMPOUND AND AN OXYGEN-CONTAINING ORGANIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US disclosed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP disclosed