SCHEMBL11066023

SCHEMBL11066023

CCCCOC1=C(OCCCC)C(=O)c2cc(F)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
PTPN1 P18031 2/20 0.42
PTPRC P08575 1/20 0.40
PARK7 Q99497 1/20 0.40
CHRNA7 P36544 1/20 0.38
FAAH O00519 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
DNMT1 P26358 1/20 0.38
RAD52 P43351 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL11062592 0.92 PTPRC (0.41) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL11069303 0.88 PTPRC (0.50) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9643214 0.81 PTPN1 (0.58) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9642757 0.81 S100A4 (0.51) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL11061911 0.81 PTPRC (0.51) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9642431 0.81 ALDH1A1 (0.53) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL11066281 0.77 ALDH1A1 (0.47) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9641820 0.76 ALDH1A1 (0.51) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9642710 0.76 PTPN1 (0.51) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL9642694 0.76 PTPRC (0.56) MAPTKMT2ANPC1ALDH1A1RAB9A

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
US-4442127-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1984-04-10 US disclosed