SCHEMBL9769317

SCHEMBL9769317

CC(=O)Oc1ccc2cc(C)n(C)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 1/20 0.47
LMNA P02545 2/20 0.46
GLA P06280 3/20 0.45
GAA P10253 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MTNR1A P48039 1/20 0.43

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
SCHEMBL10794082 0.81 POLB (0.46) POLBHTTKDM4ETDP1MEN1
SCHEMBL435333 0.78 CA2 (0.57) HTTKDM4ETDP1MEN1KMT2A
SCHEMBL3974361 0.76 CA12 (0.65) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL30595409 0.76 CA12 (0.65) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL16720857 0.76 USP14 (0.50) POLBHTTKDM4ETDP1MEN1
SCHEMBL20072247 0.75 CYP2A6 (0.47) POLBHTTKDM4ETDP1ACHE
SCHEMBL27718568 0.73 ELANE (0.44) POLBHTTKDM4ETDP1MEN1
SCHEMBL29705954 0.73 CA12 (0.61) POLBHTTKDM4ETDP1MEN1
SCHEMBL5352558 0.73 CA12 (0.61) POLBHTTKDM4ETDP1MEN1
SCHEMBL29518325 0.72 TUBB4A (0.49) POLBHTTKDM4ETDP1MEN1

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-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US claimed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US disclosed