SCHEMBL28696002

SCHEMBL28696002

CCCc1ccccc1CN(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
RIPK1 Q13546 2/20 0.42
MEN1 O00255 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 1/20 0.40

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
Hydrogen Peroxide SCHEMBL29092952 0.78 LIPG (0.45) HPGDKDM4EALDH1A1PPARGPPARA
SCHEMBL11824058 0.78 AKR1B1 (0.53) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL22657967 0.77 HPGD (0.45) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL15269326 0.76 HPGD (0.54) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL322185 0.76 NPC1 (0.46) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL20494540 0.76 NPC1 (0.46) HPGDKMT2ANPC1RAB9ACA12
Benzene SCHEMBL11786397 0.76 KDM4E (0.44) HPGDKDM4EALDH1A1PPARGPPARA
SCHEMBL8751750 0.75 ALDH1A1 (0.55) KMT2ANPC1RAB9ACA12CA9
SCHEMBL180384 0.74 NPC1 (0.73) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL20565072 0.74 NPC1 (0.43) HPGDKMT2ANPC1RAB9ACA12

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
CN-114146056-A Modular compositions for scavenging soluble biomolecules and methods related thereto 纳米提克斯有限责任公司 2022-03-08 CN disclosed