SCHEMBL12822326

SCHEMBL12822326

CC(C)(C)OC(=O)NCC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
LMNA P02545 3/20 0.66
ALDH1A1 P00352 2/20 0.60
GAA P10253 4/20 0.56
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
ACHE P22303 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3424865 0.86 POLB (0.76) POLBLMNAALDH1A1GAAKMT2A
SCHEMBL29193980 0.83 LMNA (0.45) POLBLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL10845357 0.83 MAPT (0.47) POLBLMNAALDH1A1GAAKMT2A
SCHEMBL15145823 0.82 L3MBTL1 (0.51) POLBLMNAALDH1A1KMT2AHPGD
SCHEMBL3173666 0.82 POLB (0.44) POLBLMNAALDH1A1GAAKMT2A
SCHEMBL14220634 0.80 CYP2C19 (0.54) POLBALDH1A1GAAKMT2AKDM4E
SCHEMBL28195151 0.80 LMNA (0.45) POLBLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL15669430 0.80 CTSL (0.43) POLBLMNAALDH1A1GAAKMT2A
SCHEMBL12321485 0.80 LMNA (0.53) POLBLMNAGAAKMT2AMEN1
SCHEMBL20380317 0.79 LMNA (0.59) POLBLMNAALDH1A1KDM4EATM

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
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed