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SCHEMBL9439596

SCHEMBL9439596

CC(C)(C)OC(=O)C(OC(=O)C(O[C]=O)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ POLB P06746 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ CYP2C19 P33261 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL2890843 0.95 CYP1A2 (0.39) CYP1A2TSHRPOLBABCB1CYP2C19
SCHEMBL10435405 0.80 POLB (0.39) CYP1A2TSHRPOLBCYP2C19
SCHEMBL11793132 0.78 CYP1A2 (0.38) CYP1A2TSHRPOLBCYP2D6
SCHEMBL9709460 0.78 CYP1A2 (0.43) CYP1A2TSHRPOLBCYP2C19IDO1
SCHEMBL28152768 0.76 KMT2A (0.39) —
SCHEMBL15463430 0.76 CYP1A2 (0.38) CYP1A2TSHRPOLBCYP2C19CYP3A4
SCHEMBL653721 0.76 POLB (0.38) CYP1A2TSHRPOLBCYP2C19
SCHEMBL15972146 0.76 POLB (0.38) CYP1A2TSHRPOLBABCB1CYP2C19
SCHEMBL755810 0.74 KMT2A (0.45) CYP1A2TSHR
SCHEMBL9015851 0.73 TSHR (0.42) CYP1A2TSHRCYP2C19CYP3A4CYP2D6

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-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 — — US disclosed