SCHEMBL28985275

SCHEMBL28985275

COC(c1ccc(-c2cc(F)cc(F)c2)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
TPH1 P17752 2/20 0.31
TPH2 Q8IWU9 2/20 0.31
MAP4K4 O95819 1/20 0.31
SYK P43405 1/20 0.31
LIPE Q05469 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL12282257 0.81 AOC3 (0.42) LIPESLC6A4SLC6A3
SCHEMBL28985000 0.80 KIF11 (0.42)
SCHEMBL28985017 0.79 KIF11 (0.45) AKR1C2
SCHEMBL28985020 0.76 KIF11 (0.44) AKR1C2AKR1C1
SCHEMBL30204193 0.74 CTSL (0.40) CTSLCTSSCTSKDPP4DPP8
SCHEMBL12282035 0.74 CHRNA7 (0.37) LIPEAKR1C2
SCHEMBL28985015 0.73 CYP2A6 (0.41) CTSLCTSSCTSKSLC6A4SLC6A3
SCHEMBL18003618 0.73 KIF11 (0.35) AKR1C2
SCHEMBL28985271 0.72 LIPE (0.31) LIPE
SCHEMBL20246079 0.72 CYP1A2 (0.34) CTSLCTSSCTSKLIPESLC6A4

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-115948752-A Reaction method for selective fluorination functionalization of harmonious difluoro olefin 暨南大学 2023-04-11 CN disclosed