SCHEMBL21841844

SCHEMBL21841844

O=C(CCCCC1SCC2NC(=O)NC21)NC(CO)CO

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ABL1 P00519 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ IDE P14735 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ RIN1 Q13671 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ HLCS P50747 6/20 0.61
▸ CA12 O43570 6/20 0.56
▸ CA1 P00915 6/20 0.56
▸ CA2 P00918 6/20 0.56
▸ CA9 Q16790 6/20 0.56
▸ CNR1 P21554 1/20 0.51

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
SCHEMBL21841832 1.00 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21841843 1.00 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL3789013 0.90 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL23762809 0.88 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL20143684 0.87 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL29400740 0.87 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21524656 0.87 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL12724896 0.87 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL19901346 0.87 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL25602727 0.86 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM

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
WO-2020055153-A1 NOVEL SERINOL-BASED COMPOUND, AND COSMETIC AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME 닥터 레이몬드 래보라토리 2020-03-19 — — WO disclosed
Send feedback