SCHEMBL27868554

SCHEMBL27868554

Cc1cc(C=O)n(-c2ccc(P(=O)(O)O)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NTRK1 P04629 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL28293268 0.81 SMN1; SMN2 (0.43) MAPTHPGDRAB9ANPC1TP53
SCHEMBL28793945 0.80 RPA1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28872888 0.78 KCNJ6 (0.44) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL28293385 0.78 POLB (0.55) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL27868556 0.78 GAA (0.56) MAPTHPGDRAB9ANPC1TP53
SCHEMBL28872885 0.76 LMNA (0.60) MAPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL28295435 0.75 POLB (0.43) MAPTHPGDALDH1A1L3MBTL1CYP1A2
SCHEMBL27973503 0.73 POLB (0.55) MAPTRAB9ANPC1SMN1; SMN2GAA
Phosphine SCHEMBL28064259 0.72 PTGS2 (0.58) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL27868553 0.70 PKM (0.51) HPGDGAAALDH1A1L3MBTL1CYP2C19

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
CN-102405080-A Keratin dyeing compositions comprising radical scavengers and chelating agents and uses thereof PROCTER & GAMBLE 2012-04-04 CN claimed
CN-105853246-B Keratin dyeing compositions and application thereof comprising free radical scavenger and chelating agent 诺赛尔股份有限公司 2019-07-26 CN disclosed
CN-105853246-A Keratin dyeing compositions comprising radical scavenger and chelant and use thereof 宝洁公司 2016-08-17 CN disclosed
CN-102405080-A Keratin dyeing compositions comprising radical scavengers and chelating agents and uses thereof PROCTER & GAMBLE 2012-04-04 CN disclosed