SCHEMBL27722980

SCHEMBL27722980

O=C(C1(C(F)(F)F)C=CC(c2ccccc2)=CC1)C1(C(F)(F)F)C=CC(c2ccccc2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CYP2C9 P11712 1/20 0.30
CES1 P23141 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
SCHEMBL6709307 0.91 RAB9A (0.32) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL28757379 0.88 NPC1 (0.30) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL31121574 0.88 NPC1 (0.30) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8526230 0.80 FFAR1 (0.32) RAB9ACYP1A2SMN1; SMN2
SCHEMBL5014699 0.77 MAPT (0.31) SMN1; SMN2MAPT
SCHEMBL27633572 0.76 PDK2 (0.33) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL9862294 0.76 KIF11 (0.31)
SCHEMBL27602697 0.75 HSD11B1 (0.33) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL16400085 0.74 KIF11 (0.34)
SCHEMBL28536651 0.74 CES1 (0.32) CES1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN claimed
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN disclosed