SCHEMBL9727107

SCHEMBL9727107

CCn1c(C)c(C(C)=O)c2cc(OC)ccc21

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.80
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
POLB P06746 3/20 0.68
ALDH1A1 P00352 2/20 0.65
PKM P14618 1/20 0.65
HSD17B10 Q99714 1/20 0.62
MAPT P10636 3/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
PLA2G2A P14555 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.53
PTGER4 P35408 1/20 0.52

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
SCHEMBL5972344 0.84 KDM4E (0.73) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL9198378 0.81 HTT (0.76) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL11290872 0.79 GRIK2 (0.68) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL12790273 0.79 MEN1 (0.66) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL17438027 0.79 MEN1 (0.66) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL5240000 0.78 KDM4E (0.80) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL17438024 0.77 MEN1 (0.67) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL29493320 0.77 PTGER4 (0.73) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL21651446 0.77 PTGER4 (0.73) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL9545755 0.76 PLA2G2A (0.71) KDM4EMEN1KMT2ANPC1RAB9A

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-5116978-A Vilsmeir reagent APPLETON PAPERS INC. (US) 1992-05-26 US disclosed
US-5086171-A Pressure-sensitive or heat-sensitive mark-forming record systems APPLETON PAPERS INC. (US) 1992-02-04 US disclosed