SCHEMBL29324088

SCHEMBL29324088

CCC(C)(C)C(=O)OCc1cccc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MTNR1A P48039 5/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18488099 0.88 KDM4E (0.50) IDH1NQO2KDM4EALDH1A1GLA
SCHEMBL12419171 0.86 ATM (0.49) KDM4EALDH1A1ATMEPHX1SLC1A3
SCHEMBL13292523 0.85 MTNR1A (0.42) NQO2KDM4EALDH1A1GLAMTNR1A
SCHEMBL24204874 0.81 KDM4E (0.49) IDH1NQO2KDM4EALDH1A1MTNR1A
SCHEMBL15113872 0.80 EGFR (0.40) IDH1NQO2KDM4EALDH1A1FLT3
SCHEMBL8738362 0.80 CDC25B (0.39) ALDH1A1
SCHEMBL12419176 0.77 ALDH1A1 (0.41) KDM4EALDH1A1GLAATM
SCHEMBL30727531 0.76 IDH1 (0.54) IDH1MTNR1AMTNR1BFLT3THRA
SCHEMBL29418808 0.76 IDH1 (0.54) IDH1MTNR1AMTNR1BFLT3THRA
SCHEMBL3952728 0.76 IDH1 (0.54) IDH1MTNR1AMTNR1BFLT3THRA

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-20240241441-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 — — US disclosed
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 — — US disclosed
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