SCHEMBL28622889

SCHEMBL28622889

C=C(C)C(=O)NCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
BBOX1 O75936 3/20 0.35
PLA2G2A P14555 1/20 0.33
CBLB Q13191 3/20 0.33
PAOX Q6QHF9 2/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL19484356 0.94 BBOX1 (0.37) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16799373 0.88 BBOX1 (0.47) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16798864 0.88 BBOX1 (0.47) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16799089 0.88 BBOX1 (0.47) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16799001 0.88 BBOX1 (0.47) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16799039 0.88 BBOX1 (0.47) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16798869 0.88 BBOX1 (0.47) KDM4EMAPK1HIF1ACPT2CPT1A
SCHEMBL16799375 0.86 BBOX1 (0.49) CPT2CPT1ACPT1BBBOX1CBLB
SCHEMBL23375507 0.85 CBLB (0.42) KDM4EMAPK1HIF1ACBLBPAOX
SCHEMBL18327380 0.85 CBLB (0.42) KDM4EMAPK1HIF1ACBLBPAOX

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-108112232-B Sunscreen compositions comprising superhydrophilic amphiphilic copolymers 强生消费者公司 2021-08-10 CN disclosed