SCHEMBL6805820

SCHEMBL6805820

CCCCCC(CC)NC(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.42
OPRM1 P35372 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.36
CYP2D6 P10635 2/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 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
SCHEMBL118939 0.98 SPHK1 (0.45) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL11800205 0.98 SPHK1 (0.45) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL7567092 0.98 SPHK1 (0.45) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL11798137 0.98 SPHK1 (0.45) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL11801890 0.98 SPHK1 (0.45) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL7563548 0.93 ALDH1A1 (0.38) SPHK1CA1CYP3A4FDPS
SCHEMBL27188579 0.89 SPHK1 (0.43) SPHK1OPRM1GPR84CA1FFAR1
Hydrochloric Acid SCHEMBL28388821 0.87 SPHK1 (0.47) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL11804369 0.84 ACE2 (0.38) SPHK1OPRM1GPR84CA1FFAR1
SCHEMBL2058301 0.84 TSHR (0.36) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087981-A1 Floor finish compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-05-08 US claimed
US-6197844-B1 Floor finish compositions 3M INNOVATIVE PROPERTIES COMPANY 2001-03-06 US claimed
EP-0929612-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-21 EP claimed
WO-1998011168-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-19 WO claimed
US-6780472-B2 POLYFUNCTIONAL ISOCYANURATE HAVING AT LEAST THREE TERMINAL REACTIVE GROUPS REACTED WITH HYDROXYALKYL ACRYLATE AND TERTIARY AMINE ALCOHOL 3M INNOVATIVE PROPERTIES COMPANY 2004-08-24 US disclosed
US-20030087981-A1 Floor finish compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-05-08 US disclosed
US-6197844-B1 Floor finish compositions 3M INNOVATIVE PROPERTIES COMPANY 2001-03-06 US disclosed
EP-0929612-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-21 EP disclosed
WO-1998011168-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-19 WO disclosed
US-3977994-A Rust inhibiting composition UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-08-31 US disclosed