SCHEMBL28858779

SCHEMBL28858779

CCP(=O)(O)c1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
ABAT P80404 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
LOXL2 Q9Y4K0 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 1/20 0.38
TPSAB1 Q15661 1/20 0.37
F10 P00742 1/20 0.36
F11 P03951 1/20 0.36

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
SCHEMBL11431505 0.85 CFTR (0.48) KDM4ESMN1; SMN2CFTR
SCHEMBL26699649 0.79 PSIP1 (0.45) PSIP1ABATHDAC3HDAC6NCOR2
SCHEMBL13538144 0.79 CA2 (0.48) ABATHDAC3HDAC6NCOR2ANPEP
Hydrochloric Acid SCHEMBL22165294 0.77 CA2 (0.46) ABATHDAC3HDAC6NCOR2ANPEP
SCHEMBL28153188 0.77 ABAT (0.46) PSIP1ABATHDAC3HDAC6NCOR2
SCHEMBL18893739 0.77 LMNA (0.60) CFTR
SCHEMBL18860669 0.75 CFTR (0.40) HDAC3SMN1; SMN2CFTR
SCHEMBL27244263 0.74 POLB (0.44) PSIP1ABATHDAC3HDAC6NCOR2
SCHEMBL575313 0.74 CFTR (0.67) SMN1; SMN2CFTR
SCHEMBL18539752 0.74 HRH3 (0.46) PSIP1ABATHDAC3HDAC6NCOR2

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-107828207-A Fire retardant combination of stabilizers for thermoplastic polymer 科莱恩塑料和涂料有限公司 2018-03-23 CN claimed