SCHEMBL10902889

SCHEMBL10902889

CCCCCCCC1CCC(CCc2ccc(OCC)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
NQO1 P15559 1/20 0.41
NPC1 O15118 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL10902883 1.00 RAB9A (0.45) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL8453071 0.98 RAB9A (0.46) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL7511669 0.98 RAB9A (0.46) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL10479786 0.97 RAB9A (0.45) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL10479790 0.97 RAB9A (0.45) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL10718177 0.96 RAB9A (0.42) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL10715782 0.96 RAB9A (0.42) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL11058018 0.94 RAB9A (0.49) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL10715753 0.94 RAB9A (0.43) RAB9AMAPTL3MBTL1MEN1USP2
SCHEMBL16215340 0.94 RAB9A (0.43) RAB9AMAPTL3MBTL1MEN1USP2

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
US-4583826-A Phenylethanes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US disclosed
US-4439015-A Disubstituted ethanes HOFFMANN-LA ROCHE INC. (US) 1984-03-27 US disclosed