SCHEMBL9230644

SCHEMBL9230644

CCOCC(F)(F)C(F)(F)C(F)(F)COc1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NQO1 P15559 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL5511608 0.81 USP2 (0.37) USP2MAPTTSHR
SCHEMBL8075795 0.81 LTA4H (0.47) USP2MAPTTSHRNQO1NPC1
SCHEMBL8075803 0.78 HDAC1 (0.43) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9860369 0.78 USP2 (0.41) USP2MAPTTSHR
SCHEMBL8074118 0.77 LTA4H (0.44) USP2MAPTTSHRNPC1RAB9A
SCHEMBL872085 0.77 MAPT (0.33) USP2MAPTTSHR
SCHEMBL17134252 0.73 ACACB (0.32) MAPTNQO1
SCHEMBL2499531 0.73 NQO1 (0.44) MAPTTSHRNQO1SMN1; SMN2GAA
SCHEMBL693618 0.73 MAPT (0.47) USP2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25788354 0.72 PTPN1 (0.52) MAPTNPC1RAB9ASMN1; SMN2MEN1

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
EP-0646636-A1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-05 EP disclosed