SCHEMBL5440539

SCHEMBL5440539

CCCCCCCCCCCCCCC(N)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.59
SPHK1 Q9NYA1 2/20 0.54
CYP2D6 P10635 2/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.50
GMNN O75496 1/20 0.50
POLB P06746 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CETP P11597 1/20 0.50
HTT P42858 1/20 0.50
UBE2N P61088 1/20 0.50
LAP3 P28838 2/20 0.45
PLA2G1B P04054 1/20 0.45
PLA2G2A P14555 1/20 0.45

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
SCHEMBL5450825 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL3404616 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL5450700 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL5433347 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL25378879 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL4265211 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL24794088 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL5435472 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL2872390 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA
SCHEMBL29040311 1.00 OPRM1 (0.59) OPRM1SPHK1CYP2D6TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500368-A2 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2012-09-19 EP disclosed
US-20070043132-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2007-02-22 US disclosed
US-20040082465-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2004-04-29 US disclosed
EP-1382624-A1 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2004-01-21 EP disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
US-4505835-A REACTION PRODUCT OF AMINE AND HALEIC ANHYDRIDE TEXACO INC. (US) 1985-03-19 US disclosed