SCHEMBL9502629

SCHEMBL9502629

CCC[C@H]1CC[C@H](C(=O)Oc2c(F)c(F)c(-c3c(F)c(F)c(CC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL9502635 1.00 CYP2C9 (0.32) CYP2C9MAPTALDH1A1LMNAGAA
SCHEMBL9506513 0.92 MAPT (0.38) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9506519 0.92 MAPT (0.38) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9504323 0.91 PKM (0.39) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9504329 0.91 PKM (0.39) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9502660 0.90 HTT (0.40) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9502596 0.90 HTT (0.40) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9502612 0.90 HTT (0.40) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9502618 0.90 HTT (0.40) CYP2C9MAPTLMNAGAAKMT2A
SCHEMBL9502653 0.90 HTT (0.40) CYP2C9MAPTLMNAGAAKMT2A

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