SCHEMBL19861679

SCHEMBL19861679

CC1(C)CCC2=C(O1)c1ccccc1C(O)C2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.46
▸ MALT1 Q9UDY8 8/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ TDP2 O95551 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NQO1 P15559 1/20 0.44

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
SCHEMBL14209082 0.81 IDO1 (0.47) IDO1MALT1CYP1A2CYP2C19KDM4E
SCHEMBL6903531 0.64 GPR3 (0.46) IDO1CYP1A2MEN1CYP2D6KMT2A
SCHEMBL29469331 0.64 GPR3 (0.46) IDO1CYP1A2MEN1CYP2D6KMT2A
SCHEMBL6903537 0.64 GPR3 (0.46) IDO1CYP1A2MEN1CYP2D6KMT2A
SCHEMBL29469332 0.64 GPR3 (0.46) IDO1CYP1A2MEN1CYP2D6KMT2A
SCHEMBL29503342 0.64 GPR3 (0.46) IDO1CYP1A2MEN1CYP2D6KMT2A
SCHEMBL10916022 0.63 MALT1 (0.72) IDO1MALT1CYP1A2CYP2C19KDM4E
SCHEMBL10916020 0.63 MALT1 (0.72) IDO1MALT1CYP1A2CYP2C19KDM4E
Alpha-Lapachone SCHEMBL102553 0.63 IDO1 (1.00) IDO1MALT1CYP1A2CYP2C19KDM4E
Alpha-Lapachone SCHEMBL29355317 0.63 IDO1 (1.00) IDO1MALT1CYP1A2CYP2C19KDM4E

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-9890397-B1 Hydrogen peroxide production method, system, and apparatus SOLUGEN, INC. 2018-02-13 — — US disclosed
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