SCHEMBL28048304

SCHEMBL28048304

CCCCCCC(C)OC(=O)/C=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
EGFR P00533 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL29160593 0.99 ALDH1A1 (0.54) ALDH1A1EGFRKMT2AMEN1TUBB4A
SCHEMBL10613933 0.88 CA12 (0.61) ALDH1A1MAOBCA12AKR1B10CA1
SCHEMBL10613929 0.88 CA12 (0.61) ALDH1A1MAOBCA12AKR1B10CA1
SCHEMBL5079339 0.87 KMT2A (0.60) ALDH1A1KMT2AMEN1L3MBTL1MAOA
SCHEMBL5079340 0.87 KMT2A (0.60) ALDH1A1KMT2AMEN1L3MBTL1MAOA
SCHEMBL13688231 0.87 EGFR (0.50) ALDH1A1EGFRKMT2AMEN1TUBB4A
SCHEMBL1734673 0.86 TDP1 (0.59) KMT2AMEN1MAOBBCHELMNA
SCHEMBL27495594 0.86 TDP1 (0.59) KMT2AMEN1MAOBBCHELMNA
SCHEMBL119065 0.85 EGFR (0.51) ALDH1A1EGFRKMT2AMEN1TUBB4A
SCHEMBL10888301 0.85 MAOB (0.50) ALDH1A1KMT2AMEN1KDM4EL3MBTL1

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
CN-105232373-A Radiation protective moisturizer and preparation method thereof SUZHOU COSMETIC MATERIALS CO LTD 2016-01-13 CN disclosed