SCHEMBL9505778

SCHEMBL9505778

CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)C3CCC(CCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR2 P41597 1/20 0.33
NAAA Q02083 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL9505771 1.00 HTT (0.39) HTTKMT2AMEN1POLBHPGD
SCHEMBL9505786 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9502577 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9505797 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9505808 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9505801 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9505811 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9506461 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9502568 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL9502585 0.98 HTT (0.42) HTTKMT2AMEN1POLBHPGD

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-0364548-B1 OCTAFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-06-09 EP disclosed