SCHEMBL3934071

SCHEMBL3934071

CCCCCC(N(C)C)N(C)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.45
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL2844609 0.83 SPHK1 (0.45) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL9627370 0.81 SPHK1 (0.47) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL27914015 0.81 SPHK1 (0.47) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL10950621 0.81 SPHK1 (0.47) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL9626907 0.81 SPHK1 (0.47) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL8746175 0.79 TSHR (0.47) GPR84LMNAOPRM1
SCHEMBL6452480 0.79 TSHR (0.47) GPR84LMNAOPRM1
SCHEMBL125535 0.79 TSHR (0.47) GPR84LMNAOPRM1
SCHEMBL9166797 0.79 TSHR (0.47) GPR84LMNAOPRM1
SCHEMBL8824517 0.79 TSHR (0.47) GPR84LMNAOPRM1

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-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 US disclosed
US-20030144371-A1 Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers TOSOH CORPORATION (JP) 2003-07-31 US disclosed
EP-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP disclosed