SCHEMBL7422689

SCHEMBL7422689

CCC1(CC)C(=O)N[C@H]1Oc1ccc(C(=O)O)cc1.C[C@H](N)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.37
▸ SRD5A2 P31213 3/20 0.36
▸ ELANE P08246 2/20 0.36
▸ PLA2G4A P47712 3/20 0.36
▸ CMA1 P23946 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ TAS2R14 Q9NYV8 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
SCHEMBL7438107 0.87 ELANE (0.41) SRD5A2ELANE
SCHEMBL8605131 0.87 ELANE (0.41) ELANEKMT2APKMRXRARXRB
SCHEMBL8605725 0.87 ELANE (0.41) ELANEKMT2APKMRXRARXRB
SCHEMBL3036136 0.76 KMT2A (0.49) KMT2AMAPK1
SCHEMBL7429786 0.73 ELANE (0.43) SRD5A2ELANERXRARXRB
SCHEMBL6430665 0.72 CA12 (0.36) ELANEKMT2A
SCHEMBL7371447 0.72 CA12 (0.36) ELANEKMT2A
SCHEMBL7406495 0.70 ALDH1A1 (0.51) MAPK1
SCHEMBL7368608 0.70 NPC1 (0.35) —
Benzoic Acid SCHEMBL28384787 0.69 DAO (0.58) SRD5A2MAPK1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808056-A Process for preparing substituted azetidinones MERCK & CO., INC. (US) 1998-09-15 — — US disclosed
EP-0858460-A1 PROCESS FOR PREPARING SUBSTITUTED AZETIDINONES Merck & Co., Inc. (US) 1998-08-19 — — EP disclosed
WO-1997016448-A1 PROCESS FOR PREPARING SUBSTITUTED AZETIDINONES MERCK & CO., INC. (US) 1997-05-09 — — WO disclosed
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