SCHEMBL4694855

SCHEMBL4694855

CCOC(=O)C[C@@]1(C(=O)NCCc2ccccc2)NC(=O)[C@@H]1Cc1ccnc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LTA4H P09960 2/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL4694857 0.72 ELANE (0.45) F11
SCHEMBL4696954 0.70 F11 (0.41) KDM5BKDM4ESMN1; SMN2F11
SCHEMBL4696421 0.65 F11 (0.45) F11
SCHEMBL191073 0.64 GABRP (0.61) KMT2AKDM4ERAB9AMAPTNPC1
SCHEMBL4695810 0.63 F11 (0.55) F11
Hydrochloric Acid SCHEMBL27527980 0.63 GABRP (0.59) KMT2AKDM4ERAB9AMAPTNPC1
SCHEMBL6482686 0.62 HDAC3 (0.64) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL158220 0.60 HDAC3 (0.78) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12720792 0.59 SPR (0.58) ALDH1A1SMN1; SMN2
SCHEMBL8989727 0.59 NOS3 (0.57) KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 — — EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 — — WO disclosed
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