SCHEMBL27872108

SCHEMBL27872108

C[C](C)CCc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
POLQ O75417 1/20 0.44
EPHX2 P34913 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
DAO P14920 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CNR1 P21554 1/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL266248 0.85 ALDH1A1 (0.50) IDO1MAOAMAOBPOLQEPHX2
SCHEMBL30257708 0.85 ALDH1A1 (0.50) IDO1MAOAMAOBPOLQEPHX2
SCHEMBL17329111 0.81 IDO1 (0.59) IDO1MAOBPOLQHDAC1HDAC8
SCHEMBL7400128 0.81 HDAC1 (0.50) IDO1MAOAMAOBPOLQEPHX2
SCHEMBL6286074 0.80 MAOB (0.46) IDO1MAOAMAOBPOLQEPHX2
SCHEMBL29733422 0.79 EPHX2 (0.59) IDO1POLQEPHX2HDAC1HDAC8
SCHEMBL1953231 0.79 EPHX2 (0.59) IDO1POLQEPHX2HDAC1HDAC8
SCHEMBL23662783 0.79 IAPP (0.53) IDO1MAOAMAOBPOLQEPHX2
SCHEMBL21576141 0.79 POLQ (0.47) IDO1MAOAMAOBPOLQEPHX2
SCHEMBL26085402 0.79 IDO1 (0.42) IDO1MAOAMAOBPOLQEPHX2

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-102471283-A Flavin derivatives BIORELIX INC 2012-05-23 CN disclosed