SCHEMBL9425665

SCHEMBL9425665

C#Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TP53 P04637 2/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 3/20 0.39

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
SCHEMBL9425232 0.89 RXRB (0.45) MAPTNPC1MEN1KMT2AGAA
SCHEMBL9425916 0.84 CA12 (0.34) MAPTNPC1MEN1KMT2AGAA
SCHEMBL16144926 0.81 TSHR (0.44) MAPTNPC1MEN1KMT2AGAA
SCHEMBL9425798 0.81 RXRB (0.50) RXRB
SCHEMBL15080878 0.76 MAPT (0.52) MAPTNPC1MEN1KMT2AGAA
SCHEMBL9426101 0.76 RARB (0.40) NPC1CA12CA1CA2CA7
SCHEMBL4625676 0.74 TSHR (0.56) MAPTNPC1MEN1KMT2AGAA
SCHEMBL164673 0.74 TSHR (0.52) MAPTNPC1MEN1KMT2AGAA
SCHEMBL8866206 0.73 HDAC3 (0.41) MAPTNPC1MEN1KMT2AGAA
SCHEMBL28743123 0.73 TSHR (0.56) MAPTNPC1MEN1KMT2AGAA

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-5349105-A Skin disorder ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed