SCHEMBL11754355

SCHEMBL11754355

COc1cc(CC(C)(N)OC)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
ALDH1A1 P00352 5/20 0.40
CA2 P00918 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
TAAR1 Q96RJ0 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 1/20 0.36
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 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
SCHEMBL14944886 0.86 SLC6A2 (0.44) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL11079829 0.86 CA2 (0.55) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL9917303 0.82 CA2 (0.44) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL27460450 0.82 CYP19A1 (0.39) CYP19A1ALDH1A1CA2KDM4EATM
Bromide SCHEMBL7199779 0.81 CYP19A1 (0.38) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL14945077 0.78 TDP1 (0.57) ALDH1A1KDM4ETSHRMAPK1POLB
SCHEMBL13144839 0.78 CA2 (0.40) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL18883625 0.77 ATM (0.46) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL8686672 0.74 CA2 (0.47) CYP19A1ALDH1A1CA2KDM4EATM
SCHEMBL6946432 0.74 KDM4E (0.50) CYP19A1ALDH1A1CA2KDM4EATM

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-4022878-A NATIVE HOMOLOGOUS HAPTEN OR ANTIGEN BIOLOGICAL DEVELOPMENTS, INC. (US) 1977-05-10 US disclosed