SCHEMBL11803975

SCHEMBL11803975

CC(C)c1ccccc1C1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 4/20 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
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ DPP4 P27487 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 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
SCHEMBL28856362 0.82 GABRA1 (0.41) LMNACYP1A2CYP3A4HTR2BKMT2A
SCHEMBL11807484 0.81 DPP4 (0.46) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL11807034 0.74 KMT2A (0.53) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL11803990 0.71 TP53 (0.47) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL11811509 0.69 RAB9A (0.53) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL11807332 0.69 KMT2A (0.53) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL27495753 0.69 FAAH (0.42) MAPTDPP4NR1H2NR1H3ALDH1A1
SCHEMBL15642430 0.69 TYR (0.47) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL15642144 0.69 MAPT (0.45) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL14939263 0.69 RAB9A (0.57) MAPTTP53LMNACYP1A2CYP3A4

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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