SCHEMBL6970166

SCHEMBL6970166

CCCCC[CH]Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
PLA2G10 O15496 1/20 0.36
EPHX2 P34913 5/20 0.36
FAAH O00519 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
KCNH2 Q12809 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
DNM1 Q05193 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5144120 0.98 SOAT2 (0.40) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL5145612 0.98 SOAT2 (0.40) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL5077126 0.98 SOAT2 (0.40) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL6966310 0.94 KCNH2 (0.36) PLA2G10SIGMAR1KCNH2LTA4HLMNA
SCHEMBL5167477 0.89 ALDH1A1 (0.40) KCNH2LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3759405 0.85 KCNH2 (0.38) KCNH2LMNAMAPK1MEN1TP53
SCHEMBL5195567 0.80 ALDH1A1 (0.43) KCNH2LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6907080 0.79 SOAT2 (0.44) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL6907084 0.79 SOAT2 (0.44) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL133857 0.78 ALDH1A1 (0.32) LMNAMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
EP-0244786-B1 PROCESS FOR PREPARING 0-SUBSTITUTED HYDROXYLAMINES BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 US disclosed