SCHEMBL9775369

SCHEMBL9775369

CC(=O)N(CCCCC#N)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
GUSB P08236 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 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
SCHEMBL9325011 0.93 L3MBTL1 (0.42) L3MBTL1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9326236 0.92 L3MBTL1 (0.44) L3MBTL1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL23163221 0.85 CYP3A4 (0.46) L3MBTL1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9545089 0.84 HDAC1 (0.43) L3MBTL1TSHR
SCHEMBL1751201 0.84 L3MBTL1 (0.69) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL9543318 0.83 L3MBTL1 (0.42) L3MBTL1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1751139 0.83 L3MBTL1 (0.71) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL9326166 0.82 L3MBTL1 (0.44) L3MBTL1
SCHEMBL9434878 0.82 L3MBTL1 (0.53) L3MBTL1ALDH1A1
SCHEMBL23204604 0.82 L3MBTL1 (0.48) L3MBTL1CYP3A4CYP2C9TSHRCYP2C19

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-4987253-A Method for the synthesis of desferrioxamine B and analogs thereof UNIVERSITY OF FLORIDA (US) 1991-01-22 US disclosed
EP-0347163-A2 Method for the synthesis of desferrioxamine B and analogs thereof, and intermediates THE UNIVERSITY OF FLORIDA (US) 1989-12-20 EP disclosed