SCHEMBL18488099

SCHEMBL18488099

CC(C)(C)C(=O)OCc1cccc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ IDH1 O75874 1/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ MTNR1A P48039 4/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 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
SCHEMBL29324088 0.88 IDH1 (0.42) KDM4EALDH1A1GLAIDH1NQO2
SCHEMBL15866033 0.85 KDM4E (0.51) KDM4EALDH1A1GLAMTNR1AEPHX1
SCHEMBL24204874 0.81 KDM4E (0.49) KDM4EALDH1A1IDH1NQO2MTNR1A
SCHEMBL18470681 0.79 IDH1 (0.43) IDH1NQO2MTNR1AMTNR1BTHRA
SCHEMBL19558277 0.78 KDM4E (0.44) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL20099484 0.78 TDP1 (0.49) KDM4EALDH1A1GLAMTNR1AMTNR1B
SCHEMBL30727531 0.76 IDH1 (0.54) IDH1MTNR1AMTNR1BTHRATHRB
SCHEMBL3952728 0.76 IDH1 (0.54) IDH1MTNR1AMTNR1BTHRATHRB
SCHEMBL29418808 0.76 IDH1 (0.54) IDH1MTNR1AMTNR1BTHRATHRB
SCHEMBL17938431 0.76 NPC1 (0.49) KDM4EALDH1A1GLAGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957339-B2 Copolymer and associated layered article, and device-forming method ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-05-01 — — US disclosed
US-20170037171-A1 COPOLYMER AND ASSOCIATED LAYERED ARTICLE, AND DEVICE-FORMING METHOD THE UNIVERSITY OF QUEENSLAND (AU) 2017-02-09 — — US disclosed
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