SCHEMBL12392802

SCHEMBL12392802

COC(=O)C1=C(Nc2ccc(C)cc2)CC(C)=C(Nc2ccc(C)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL1415828 0.94 TDP1 (0.48) ACHETDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL1415617 0.80 SLC6A3 (0.49) ACHEMAPTALDH1A1KMT2APOLB
SCHEMBL1415465 0.80 MEN1 (0.49) ACHEMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1415795 0.80 ACHE (0.44) ACHETDP1MAPTALDH1A1KMT2A
SCHEMBL1415808 0.80 HTT (0.54) ACHETDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL3909905 0.79 MAPT (0.53) ACHEMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1415514 0.77 AKR1C3 (0.46) TDP1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3905197 0.77 SLC6A3 (0.52) ACHEMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL3902803 0.77 MAPT (0.45) TDP1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3899783 0.76 EPHX2 (0.45) ACHETDP1ALDH1A1POLBNPC1

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-20110207860-A1 Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups CABOT CORPORATION (US) 2011-08-25 — — US disclosed
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