SCHEMBL11630697

SCHEMBL11630697

O=P(O)(O)CCCCCC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.[KH]

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
TYMS P04818 1/20 0.48
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
BBOX1 O75936 1/20 0.37
GRM4 Q14833 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
SCHEMBL20699854 0.98 LPAR3 (0.50) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL1260815 0.98 LPAR3 (0.50) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL10764074 0.88 TYMS (0.55) LPAR3LPAR2TYMSLMNACYP3A4
Ethylenediamine SCHEMBL583838 0.80 LMNA (0.56) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL19211969 0.80 GRM4 (0.52) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL11095560 0.77 TYMS (0.79) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL1636300 0.77 TYMS (0.79) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL767546 0.77 TYMS (0.79) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL3211535 0.77 TYMS (0.79) LPAR3LPAR2TYMSLMNACYP3A4
SCHEMBL9701682 0.77 TYMS (0.79) LPAR3LPAR2TYMSLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4034128-A Production of a color developing record sheet containing metal-modified novolak resin particles THE MEAD CORPORATION (US) 1977-07-05 US claimed
US-4082713-A RHEOLOGICAL STABILITY, PRESSURE SENSITIVE THE MEAD CORPORATION (US) 1978-04-04 US disclosed
US-4034128-A Production of a color developing record sheet containing metal-modified novolak resin particles THE MEAD CORPORATION (US) 1977-07-05 US disclosed