SCHEMBL10529211

SCHEMBL10529211

CCC(C)c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C(C)CC)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ KMT2A Q03164 7/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ EIF4H Q15056 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ ESR1 P03372 3/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ESR2 Q92731 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL6721979 0.89 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AESR1HIF1A
SCHEMBL14464036 0.88 FAAH (0.45) ALDH1A1TSHRKMT2APABPC1EIF4H
SCHEMBL11922881 0.87 KMT2A (0.56) ALDH1A1TSHRKMT2APABPC1EIF4H
SCHEMBL10053089 0.86 MEN1 (0.50) ALDH1A1TSHRKMT2AESR1HIF1A
SCHEMBL1790126 0.85 MAPT (0.50) ALDH1A1KMT2APABPC1EIF4HCTDSP1
SCHEMBL13144362 0.85 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AESR1HIF1A
SCHEMBL14665363 0.85 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AESR1HIF1A
SCHEMBL13144217 0.84 ELANE (0.56) ALDH1A1TSHRKMT2ATDP1MAPT
SCHEMBL13296203 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AESR1HIF1A
SCHEMBL14461699 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AESR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133182-B1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-15 — — EP disclosed
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 — — US disclosed
EP-0133182-A1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-02-20 — — EP disclosed
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