SCHEMBL28029976

SCHEMBL28029976

COP(=O)(OC)O/C(=C/c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 1/20 0.38
AKR1C3 P42330 2/20 0.38
MAPK1 P28482 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL28029978 0.94 KMT2A (0.39) MAPTKMT2ANPSR1KDM4EPOLB
SCHEMBL28029983 0.89 MEN1 (0.44) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL28029985 0.89 MEN1 (0.44) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL28822075 0.85 CYP1B1 (0.42) MAPTKMT2ANPSR1POLBCYP1B1
SCHEMBL28030361 0.85 PTGS2 (0.42) MAPTKMT2ANPSR1POLBALDH1A1
SCHEMBL28029986 0.82 KMT2A (0.44) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL22493010 0.81 AKR1C1 (0.46) MAPTKMT2AKDM4EPOLBCYP1B1
SCHEMBL28030387 0.81 CYP1B1 (0.47) MAPTKMT2ANPSR1KDM4EPOLB
SCHEMBL28029992 0.81 CYP1B1 (0.47) MAPTKMT2ANPSR1KDM4EPOLB
SCHEMBL28029977 0.80 CYP1B1 (0.44) MAPTKMT2AKDM4ETDP1CYP1B1

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-104926867-A Preparation method for alkenyl phosphate compound UNIV BEIJING 2015-09-23 CN disclosed