SCHEMBL9342602

SCHEMBL9342602

CC(C)CCCCCCCOP(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32

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
SCHEMBL27351690 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHTTTDP1GAA
SCHEMBL11428133 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHTTTDP1GAA
SCHEMBL22323559 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EHTTTDP1GAA
SCHEMBL750445 0.81 ATM (0.34) ALDH1A1KDM4EGAANPSR1HSD17B10
SCHEMBL9294353 0.81 ATM (0.34) ALDH1A1KDM4EGAANPSR1HSD17B10
SCHEMBL9008221 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL1650564 0.78 TDP1 (0.46) ALDH1A1KDM4EHTTTDP1GAA
SCHEMBL7621620 0.77 RARB (0.39) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL78491 0.77 RARB (0.39) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL263013 0.77 RARB (0.39) ALDH1A1HTTTDP1MEN1KMT2A

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-5322871-A Stabilize polymers against oxidation, thermal and photodegradation CIBA-GEIGY CORPORATION (US) 1994-06-21 — — US disclosed
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