SCHEMBL3090852

SCHEMBL3090852

O=C(O)CCCCC1(C(=O)O)CCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
TBXAS1 P24557 2/20 0.48
LMNA P02545 2/20 0.44
NFKB1 P19838 2/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP4F2 P78329 5/20 0.40
CYP4A11 Q02928 5/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AKR1B1 P15121 1/20 0.37
CYP2D6 P10635 1/20 0.37
FOLH1 Q04609 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
SCHEMBL251145 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL249754 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL250844 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL249838 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL248594 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL3402279 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL251746 1.00 CYP2C19 (0.55) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL251407 0.98 CYP2C19 (0.53) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL251372 0.98 CYP2C19 (0.53) CYP2C19TBXAS1LMNANFKB1TSHR
SCHEMBL278033 0.98 CYP2C19 (0.53) CYP2C19TBXAS1LMNANFKB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760032-B1 Toner composition and process XEROX CORPORATION (US) 2017-09-12 US claimed
US-20170248859-A1 TONER COMPOSITION AND PROCESS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2017-08-31 US claimed
US-7785763-B2 Emulsion aggregation processes XEROX CORPORATION (US) 2010-08-31 US claimed
US-9760032-B1 Toner composition and process XEROX CORPORATION (US) 2017-09-12 US disclosed
US-20170248859-A1 TONER COMPOSITION AND PROCESS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2017-08-31 US disclosed
US-7785763-B2 Emulsion aggregation processes XEROX CORPORATION (US) 2010-08-31 US disclosed