SCHEMBL8911150

SCHEMBL8911150

CC(=O)c1c(C)c(C(=O)OCc2ccccc2)n(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
MAPK1 P28482 1/20 0.55
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8910450 0.85 ALDH1A1 (0.54) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL20154166 0.85 KMT2A (0.54) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL19928034 0.81 MAPT (0.57) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL8910221 0.79 KMT2A (0.81) RAB9AMAPTSMN1; SMN2NPC1KMT2A
SCHEMBL257221 0.76 KMT2A (0.69) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL17965761 0.76 TDP1 (0.61) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL22327485 0.75 MAPT (0.51) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL20154183 0.73 RAB9A (0.51) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL20154185 0.73 KMT2A (0.57) RAB9AMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL5446007 0.71 KMT2A (0.76) RAB9AMAPTSMN1; SMN2NPC1MAPK1

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-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed
EP-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 EP disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO disclosed