SCHEMBL8005022

SCHEMBL8005022

Cc1ccc(P(C)I)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NLRP1 Q9C000 1/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
NTSR1 P30989 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
SCHEMBL8017867 0.79 ACHE (0.50) ACHETDP1CA2CA1CA7
SCHEMBL7558573 0.75 ACHE (0.53) ACHETDP1CA2CA1CA7
SCHEMBL1400954 0.75 ACHE (0.53) ACHETDP1CA2CA1CA7
SCHEMBL8016825 0.73 ACHE (0.50) ACHETDP1CA2CA1CA7
SCHEMBL8003746 0.73
SCHEMBL34181 0.71 ACHE (0.57) ACHETDP1CA2CA1CA7
SCHEMBL15661400 0.71 ACHE (0.57) ACHETDP1CA2CA1CA7
SCHEMBL8015568 0.71 ACHE (0.47) ACHETDP1CA2CA1CA7
SCHEMBL9349791 0.71 ACHE (0.47) ACHETDP1CA2CA1CA7
Hydrochloric Acid SCHEMBL14335453 0.69 ACHE (0.53) ACHETDP1CA2CA1CA7

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
US-6162575-A Process for making lithographic printing plate MITSUBISHI PAPER MILLS LIMITED (JP) 2000-12-19 US disclosed