SCHEMBL8907292

SCHEMBL8907292

CCC(Nc1ccccc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX12 P18054 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL8157670 0.82 TDP1 (0.45) TDP1TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL11695120 0.81 TDP1 (0.41) TDP1TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL7274967 0.77 SIGMAR1 (0.50) AOC3
SCHEMBL15007253 0.73 ALDH1A1 (0.50) CYP3A4ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL2495982 0.73 TDP1 (0.54) TDP1TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL4457363 0.73 TDP1 (0.61) TDP1TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL7708792 0.72 TDP1 (0.48) TDP1TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL28307330 0.72 SIGMAR1 (0.48) TDP1TSHRCYP3A4ALDH1A1THRB
SCHEMBL24134692 0.71 ACHE (0.37) TDP1TSHRALDH1A1HSD17B10LMNA
Methane SCHEMBL28523284 0.71 TDP1 (0.52) TDP1TSHRCYP3A4ALDH1A1ALOX15

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
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed