SCHEMBL9631196

SCHEMBL9631196

CCCCCCCC1CCC(CCC2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRL1 P41146 7/20 0.32
KDM1A O60341 2/20 0.32
SCN9A Q15858 1/20 0.30
CNR2 P34972 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
SCHEMBL9631193 1.00 MAPT (0.37) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9406190 1.00 MAPT (0.37) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9406187 1.00 MAPT (0.37) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9406332 0.99 MAPT (0.38) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9405950 0.99 MAPT (0.36) MAPTGAAMEN1KMT2AHPGD
SCHEMBL8455394 0.99 MAPT (0.38) MAPTGAAMEN1KMT2AHPGD
SCHEMBL8455398 0.99 MAPT (0.38) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9405949 0.99 MAPT (0.36) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9405746 0.99 MAPT (0.38) MAPTGAAMEN1KMT2AHPGD
SCHEMBL9406329 0.99 MAPT (0.38) MAPTGAAMEN1KMT2AHPGD

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-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed