SCHEMBL9723372

SCHEMBL9723372

CCCCCC(N)(CCCCCCNC)CCCCCCNC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.65
SMPD1 P17405 4/20 0.39
FDPS P14324 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4974182 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL333128 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL242456 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL2868221 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL8403723 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL332048 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL7648793 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL640735 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL868284 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1
SCHEMBL2865214 0.83 SMPD1 (0.50) EPHX1SMPD1FDPSTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169411-A Treating with mono-or polyimines, scavengers PETROLITE CORPORATION (US) 1992-12-08 US claimed
EP-0405719-A1 Suppression of the evolution of hydrogen sulfide gases from petroleum residua PETROLITE CORPORATION (US) 1991-01-02 EP claimed
US-5169411-A Treating with mono-or polyimines, scavengers PETROLITE CORPORATION (US) 1992-12-08 US disclosed
EP-0405719-A1 Suppression of the evolution of hydrogen sulfide gases from petroleum residua PETROLITE CORPORATION (US) 1991-01-02 EP disclosed