SCHEMBL8046083

SCHEMBL8046083

CCCCCCCCCc1cccc(C(OC(c2cccc(CCCCCCCCC)c2)[C@@H]2CO2)[C@@H]2CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.46
SPHK1 Q9NYA1 2/20 0.46
LPL P06858 3/20 0.43
LIPG Q9Y5X9 3/20 0.43
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL8660244 1.00 SPHK2 (0.46) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL8905679 0.93 PPARA (0.47) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL8904567 0.93 PPARA (0.47) SPHK2SPHK1LPLLIPGPPARG
SCHEMBL8906146 0.89 PPARA (0.43) SPHK2SPHK1PPARGPPARA
SCHEMBL8905983 0.86 PPARA (0.41) SPHK2SPHK1PPARGPPARA
SCHEMBL10411867 0.83 THRA (0.49) SPHK2SPHK1LPLLIPGTHRA
SCHEMBL7871491 0.83 THRA (0.49) SPHK2SPHK1LPLLIPGTHRA
SCHEMBL27082092 0.83 THRA (0.49) SPHK2SPHK1LPLLIPGTHRA
SCHEMBL8904822 0.82 TAAR1 (0.34) SPHK2SPHK1
SCHEMBL8905830 0.79 EP300 (0.37) PPARGPPARA

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
EP-0721326-B1 CONTRACEPTIVE COMPOSITIONS HAMPTON ROADS MEDICAL COLLEGE (US) 2000-05-31 EP disclosed
EP-0721326-A1 CONTRACEPTIVE COMPOSITIONS MEDICAL COLLEGE OF HAMPTON ROADS ON BEHALF OF THE CONRAD PROGRAM (US) 1996-07-17 EP disclosed
WO-1995008981-A9 CONTRACEPTIVE COMPOSITIONS 1995-05-04 WO disclosed
WO-1995008981-A1 CONTRACEPTIVE COMPOSITIONS THE MEDICAL COLLEGE OF HAMPTON ROADS ON BEHALF OF THE CONRAD PROGRAM (US) 1995-04-06 WO disclosed