SCHEMBL28271980

SCHEMBL28271980

Cc1ccc(COC(=O)C2CCCN2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.57
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GFER P55789 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PREP P48147 1/20 0.45

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
SCHEMBL11443635 0.88 FKBP1A (0.67) FKBP1APREP
SCHEMBL28351585 0.88 FKBP1A (0.67) FKBP1APREP
SCHEMBL28957118 0.87 FKBP1A (0.58) FKBP1AALDH1A1
SCHEMBL27989692 0.87 FKBP1A (0.54) FKBP1AKMT2AALDH1A1
SCHEMBL28270373 0.85 FKBP1A (0.56) FKBP1AMEN1KMT2AGFERACE
SCHEMBL3786414 0.84 FKBP1A (0.73) FKBP1A
SCHEMBL28811887 0.84 FKBP1A (0.73) FKBP1A
SCHEMBL28869058 0.84 KDM4E (0.53) FKBP1AACEKDM4EALDH1A1
SCHEMBL10938558 0.82 GFER (0.59) MEN1KMT2AGFERCYP3A4CYP2C9
SCHEMBL15601852 0.82 GFER (0.59) MEN1KMT2AGFERCYP3A4CYP2C9

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-109232713-A Nmda receptor regulator and application thereof 西北大学 2019-01-18 — — CN disclosed
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