SCHEMBL4430656

SCHEMBL4430656

CC(Nc1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.71
CA14 Q9ULX7 2/20 0.71
CA2 P00918 1/20 0.71
MMP2 P08253 1/20 0.71
MMP9 P14780 1/20 0.71
MMP8 P22894 1/20 0.71
MMP14 P50281 1/20 0.71
KDM4E B2RXH2 6/20 0.53
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 2/20 0.46
ACP3 P15309 1/20 0.45
KEAP1 Q14145 1/20 0.45

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
SCHEMBL8333842 0.83 CA14 (1.00) CA12CA14CA2MMP2MMP9
SCHEMBL7357998 0.81 CA12 (0.48) CA12CA14CA2MMP2MMP9
SCHEMBL28845551 0.79 CA12 (0.69) CA12CA14CA2MMP2MMP9
SCHEMBL7358973 0.77 HSP90AA1 (0.49) CA12CA14CA2MMP2MMP9
SCHEMBL11336488 0.77 CA12 (0.56) CA12CA14CA2MMP2MMP9
SCHEMBL32575454 0.76 IDO1 (0.55) CA12CA14CA2MMP2MMP9
SCHEMBL729010 0.76 IDO1 (0.55) CA12CA14CA2MMP2MMP9
SCHEMBL7353058 0.75 CA12 (0.44) CA12CA14CA2MMP2MMP9
SCHEMBL409050 0.75 CA12 (0.54) CA12CA14CA2MMP2MMP9
SCHEMBL42286 0.75 CA12 (0.54) CA12CA14CA2MMP2MMP9

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-7567371-B2 Electrochromic compounds NTERA LIMITED (IE) 2009-07-28 US disclosed