SCHEMBL9684987

SCHEMBL9684987

CC(=O)c1ccc(CC[C@H](C)N(C[C@H](O)COc2ccccc2)C[C@H](O)COc2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
PRNP P04156 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CYP2D6 P10635 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
SCHEMBL9684985 1.00 ABCB1 (0.42) ABCB1ALDH1A1LMNAPRNPRECQL
SCHEMBL9787394 0.94 ALDH1A1 (0.39) ABCB1ALDH1A1LMNAPRNPRECQL
SCHEMBL9787389 0.94 ALDH1A1 (0.39) ABCB1ALDH1A1LMNAPRNPRECQL
SCHEMBL9684099 0.91 ABCB1 (0.42) ABCB1ALDH1A1LMNAADRB2ADRB1
SCHEMBL9684091 0.91 ABCB1 (0.42) ABCB1ALDH1A1LMNAADRB2ADRB1
SCHEMBL10633610 0.85 MEN1 (0.41) ABCB1ALDH1A1LMNAADRB2ADRB1
SCHEMBL9685281 0.81 MEN1 (0.63) ABCB1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9685272 0.81 MEN1 (0.63) ABCB1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9683733 0.80 ABCB1 (0.36) ABCB1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9683741 0.80 ABCB1 (0.36) ABCB1ALDH1A1ADRB2ADRB1ADRB3

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-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed