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SCHEMBL10336458

SCHEMBL10336458

CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CC)CC3)c(F)c2F)c(F)c1F.CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCC)CC3)c(F)c2F)c(F)c1F.CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCCC)CC3)c(F)c2F)c(F)c1F.CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCCCC)CC3)c(F)c2F)c(F)c1F.CCCCCCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CCCCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 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
SCHEMBL10336362 0.95 MEN1 (0.36) HTTMEN1KMT2APKMPOLB
SCHEMBL9502713 0.94 MEN1 (0.37) HTTMEN1KMT2APKMPOLB
SCHEMBL9505771 0.94 HTT (0.39) HTTMEN1KMT2APKMPOLB
SCHEMBL9502706 0.94 MEN1 (0.37) HTTMEN1KMT2APKMPOLB
SCHEMBL9505778 0.94 HTT (0.39) HTTMEN1KMT2APKMPOLB
SCHEMBL9506461 0.94 HTT (0.42) HTTMEN1KMT2APKMPOLB
SCHEMBL9505811 0.94 HTT (0.42) HTTMEN1KMT2APKMPOLB
SCHEMBL9502577 0.94 HTT (0.42) HTTMEN1KMT2APKMPOLB
SCHEMBL9502568 0.94 HTT (0.42) HTTMEN1KMT2APKMPOLB
SCHEMBL9505801 0.94 HTT (0.42) HTTMEN1KMT2APKMPOLB

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
EP-0364548-A1 OCTAFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-25 — — EP disclosed
WO-1989009203-A1 OCTAFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-10-05 — — WO disclosed