SCHEMBL28678176

SCHEMBL28678176

O=C(CCCCOC1CCCCO1)Oc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SLC6A1 P30531 1/20 0.36
CNR2 P34972 3/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL740551 0.76 MEN1 (0.58) MEN1KMT2ATSHRKDM4CL3MBTL1
SCHEMBL1631295 0.72 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1
SCHEMBL13572547 0.72 KMT2A (0.58) MEN1KMT2AKDM4C
SCHEMBL1631504 0.72 MEN1 (0.44) MEN1KMT2ATSHRCNR2KDM4C
SCHEMBL15765736 0.70 RXRA (0.52) MEN1KMT2APTGDR2RXRARXRB
SCHEMBL28678179 0.69 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1KDM4E
SCHEMBL28664006 0.69 MEN1 (0.44) MEN1KMT2A
SCHEMBL21326182 0.69 CHRM2 (0.43) MEN1KMT2AMAPT
SCHEMBL10705365 0.69 KMT2A (0.52) MEN1KMT2ATSHR
SCHEMBL13736496 0.69 KMT2A (0.52) MEN1KMT2ATSHR

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-107922437-B Bridged piperidine derivatives 豪夫迈·罗氏有限公司 2021-12-10 CN disclosed