SCHEMBL8601973

SCHEMBL8601973

C=CCOc1ccc(-c2ccc(C=CCCCC(C)F)nn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRC P12931 2/20 0.31
TP53 P04637 1/20 0.31
ABL1 P00519 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL8601970 1.00 CYP2D6 (0.33) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7555244 0.90 NPC1 (0.39) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7555247 0.90 NPC1 (0.39) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL8051330 0.89 CYP2D6 (0.37) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL8051336 0.89 CYP2D6 (0.37) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7555260 0.86 CYP2D6 (0.34) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7555251 0.86 CYP2D6 (0.34) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7554659 0.85 CYP2D6 (0.33) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7554662 0.85 CYP2D6 (0.33) CYP2D6DCTPP1ALDH1A1KDM4EMAPT
SCHEMBL7559250 0.84 CYP2D6 (0.32) CYP2D6DCTPP1ALDH1A1KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed