SCHEMBL9554159

SCHEMBL9554159

CCOC(=O)CCN(C)CCCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.51
ALOX5 P09917 1/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CYP4Z1 Q86W10 3/20 0.45
CYP4F11 Q9HBI6 1/20 0.45
CYP4F12 Q9HCS2 1/20 0.45
NAMPT P43490 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GNRHR P30968 1/20 0.40
PPID Q08752 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9554286 0.86 LTA4H (0.67) LTA4HALOX5SMN1; SMN2THRATHRB
SCHEMBL27469498 0.85 ALOX5 (0.56) ALOX5CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL4956699 0.84 CYP4Z1 (0.56) ALOX5CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL7420660 0.82 CYP4Z1 (0.54) ALOX5CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL2412884 0.82 CYP4F2 (0.67) ALOX5CYP4F2CYP4A11CYP4Z1NAMPT
Hydrochloric Acid SCHEMBL9554629 0.81 LTA4H (0.48) LTA4HSMN1; SMN2ALDH1A1LMNASIGMAR1
Hydrochloric Acid SCHEMBL7420658 0.81 CYP4Z1 (0.53) ALOX5CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL9731175 0.81 LTA4H (0.66) LTA4HALOX5SMN1; SMN2THRATHRB
SCHEMBL7380546 0.80 ALOX5 (0.48) ALOX5CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL11585892 0.75 CYP4F2 (0.50) LTA4HALOX5CYP4F2CYP4A11CYP4Z1

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-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed