SCHEMBL27720029

SCHEMBL27720029

COC(=O)c1cc(C(C)=O)ccc1NC[SH](=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ AKR1C3 P42330 9/20 0.42
▸ AKR1C2 P52895 9/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HPGD P15428 4/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27420449 0.81 ABL1 (0.49) LMNAKDM4EALDH1A1KMT2AHPGD
SCHEMBL27605356 0.77 KDM4E (0.64) LMNAKDM4EALDH1A1KMT2AHPGD
SCHEMBL1285263 0.74 SMN1; SMN2 (0.64) LMNAKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL12305003 0.72 ALDH1A1 (0.45) LMNAKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL31258831 0.72 CA12 (0.65) LMNAKDM4EALDH1A1KMT2AHPGD
SCHEMBL330670 0.72 CA12 (0.65) LMNAKDM4EALDH1A1KMT2AHPGD
SCHEMBL2054476 0.72 HDAC8 (0.51) LMNAKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL30034172 0.70 KDM4E (0.60) LMNAKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL4261271 0.70 KMT2A (0.47) LMNAKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL4462421 0.70 ALDH1A1 (0.57) LMNAKDM4EALDH1A1AKR1C3AKR1C2

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-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 — — CN disclosed
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