SCHEMBL10944404

SCHEMBL10944404

CCCCCCCCCCCCCCC(O)C(C)(C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.50
CYP2D6 P10635 2/20 0.47
LMNA P02545 2/20 0.47
GMNN O75496 1/20 0.47
POLB P06746 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CETP P11597 1/20 0.47
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
GPR84 Q9NQS5 7/20 0.45
FFAR1 O14842 1/20 0.45
OPRM1 P35372 1/20 0.42
LAP3 P28838 1/20 0.42

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
SCHEMBL10944400 1.00 SPHK1 (0.50) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL5671085 1.00 SPHK1 (0.50) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL4008504 1.00 SPHK1 (0.50) SPHK1CYP2D6LMNAGMNNPOLB
Hydrochloric Acid SCHEMBL5053423 0.98 SPHK1 (0.48) SPHK1CYP2D6LMNAGMNNPOLB
Bromide SCHEMBL10787697 0.98 SPHK1 (0.48) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL2843015 0.90 CA2 (0.43) SPHK1CYP2D6LMNAGMNNPOLB
Acetic Acid SCHEMBL4620898 0.90 GPR84 (0.52) SPHK1MAPTGPR84FFAR1CA2
Phosphoric Acid SCHEMBL2806140 0.90 LAP3 (0.53) LAP3
SCHEMBL27613986 0.90 GPR84 (0.42) SPHK1CYP2D6LMNAGMNNPOLB
Phosphoric Acid SCHEMBL670802 0.90 LAP3 (0.53) LAP3

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-4510074-A ALKYL AMMONIUM SALT AND A PYRIDINYL POLYACID SALT AS DISPERSANT AND ANCHORING AGENT KAO CORPORATION (JP) 1985-04-09 US claimed
US-4510074-A ALKYL AMMONIUM SALT AND A PYRIDINYL POLYACID SALT AS DISPERSANT AND ANCHORING AGENT KAO CORPORATION (JP) 1985-04-09 US disclosed