SCHEMBL8668385

SCHEMBL8668385

CC(C)(C)OC(=O)C1CC(Cc2ccccc2)C(c2ccccc2)N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP2C19 P33261 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
STS P08842 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL21993827 0.82 TSHR (0.52) KMT2AL3MBTL1TSHR
SCHEMBL12643708 0.82 TSHR (0.52) KMT2AL3MBTL1TSHR
SCHEMBL8670246 0.82 CYP2C19 (0.41) KMT2ATSHRCYP2C19
SCHEMBL27742382 0.81 KLK7 (0.41) KMT2ARECQLTSHRCYP2C19
SCHEMBL8899635 0.74 RECQL (0.40) RECQLTSHRABCB1CYP2C19KDM1A
SCHEMBL14649976 0.71 FABP5 (0.41) KMT2AL3MBTL1RECQLKDM1AMAOB
SCHEMBL19428590 0.71 FABP5 (0.41) KMT2AL3MBTL1RECQLKDM1AMAOB
SCHEMBL10326487 0.71 RECQL (0.46) KMT2ARECQLTSHRABCB1KDM1A
SCHEMBL27742379 0.71 KLK7 (0.42) KMT2AL3MBTL1TSHR
SCHEMBL8695989 0.70 KCNH2 (0.50) RECQLABCB1CYP2C19KDM1AMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed