SCHEMBL7714481

SCHEMBL7714481

CCCCC(=O)CP(=O)(O)OCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
CA1 P00915 1/20 0.39
LPAR3 Q9UBY5 4/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CETP P11597 3/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL3628879 0.94 MAPT (0.42) PPARDLPAR3LPAR1LPAR2CES2
SCHEMBL4942146 0.93 MAPT (0.46) PPARDLPAR3LPAR1LPAR2CES2
SCHEMBL3929518 0.78 PPARD (0.41) PPARDCA1FNTAFNTBPGGT1B
SCHEMBL3928093 0.78 PPARD (0.41) PPARDCA1FNTAFNTBPGGT1B
Ethyl Hydrogen Butylphosphonate SCHEMBL575146 0.77 PPARD (0.64) PPARDLPAR3LPAR1LPAR2CETP
SCHEMBL3005295 0.77 CA1 (0.46) CA1LPAR3LPAR2CES2CES1
SCHEMBL7616579 0.77 KMT2A (0.44) PPARDCES2CES1ALDH1A1
SCHEMBL8581475 0.77 MAPT (0.44) PPARDCES2CES1ALDH1A1
SCHEMBL11875238 0.76 TSHR (0.49) LPAR3LPAR1LPAR2
SCHEMBL10431817 0.76 KMT2A (0.47) PPARDCES2CES1ALDH1A1

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-6376480-B1 TREATMENT OF IMMUNE SYSTEM DISORDERS, OSTEOPOROSIS, ALOPECIA SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-23 US disclosed
US-6372731-B1 TREATMENT OF CELL PROLIFERATION AND BONE DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-16 US disclosed