SCHEMBL9518672

SCHEMBL9518672

CCCCCCCCCCC(Cc1ccccc1)C(P)(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CNR2 P34972 1/20 0.39
MMP2 P08253 9/20 0.39
MMP1 P03956 4/20 0.39
MMP3 P08254 4/20 0.39
DNM1 Q05193 1/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37

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
Hydrochloric Acid SCHEMBL9344276 0.98 CSNK1E (0.49) CSNK1EKCNH2SIGMAR1CNR2MMP2
Water SCHEMBL9246740 0.98 CSNK1E (0.49) CSNK1EKCNH2SIGMAR1CNR2MMP2
Bromide SCHEMBL5087787 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Iodide SCHEMBL5084811 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Iodide SCHEMBL5091561 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Hydrochloric Acid SCHEMBL5092844 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Bromide SCHEMBL5086754 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Bromide SCHEMBL5084978 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Bromide SCHEMBL5092245 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2
Hydrochloric Acid SCHEMBL5091828 0.88 CSNK1E (0.51) CSNK1EKCNH2SIGMAR1CNR2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396934-B1 CAUSTIC-FREE SWEETENING OF SOUR HYDROCARBON STREAMS UOP (US) 1993-03-10 EP disclosed