SCHEMBL11807484

SCHEMBL11807484

CC(C)c1cccc(C(C)C)c1C1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ TP53 P04637 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ANPEP P15144 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL11803975 0.81 MAPT (0.45) DPP4NR1H2NR1H3TP53MAPT
SCHEMBL11804681 0.74 KMT2A (0.53) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL11803100 0.71 MAPT (0.47) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL8311194 0.69 RAB9A (0.53) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL7102205 0.69 RAB9A (0.63) TP53MAPTLMNACYP1A2CYP3A4
SCHEMBL29366407 0.69 DPP4 (0.78) DPP4NR1H2NR1H3KMT2AANPEP
SCHEMBL2820118 0.69 DPP4 (0.78) DPP4NR1H2NR1H3KMT2AANPEP
SCHEMBL29414063 0.69 GABRA1 (0.55) DPP4NR1H2NR1H3TP53MAPT
SCHEMBL167078 0.69 GABRA1 (0.55) DPP4NR1H2NR1H3TP53MAPT
SCHEMBL14199926 0.68 MEN1 (0.50) DPP4NR1H2NR1H3MAPTLMNA

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-3954998-A HERBICIDES UNION CARBIDE CORPORATION (US) 1976-05-04 — — US disclosed
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