SCHEMBL20038715

SCHEMBL20038715

CC(CCCCNC(N)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.50
▸ GABRR1 P24046 2/20 0.47
▸ BLM P54132 1/20 0.46
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TBXAS1 P24557 2/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ C3AR1 Q16581 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL17624802 0.94 GABRR1 (0.48) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL22921025 0.94 GABRR1 (0.48) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL15382672 0.94 GABRR1 (0.48) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL20713867 0.85 ITGB3 (0.48) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL14930734 0.82 KDM4E (0.58) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL18588225 0.82 KDM4E (0.58) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL14024980 0.82 DPP7 (0.40) BLMDPP7GNAI3GNAO1GNAI1
SCHEMBL24612689 0.81 CYP2D6 (0.49) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL18914351 0.80 LTA4H (0.42) LTA4HGABRR1BLMITGB3ITGA2B
SCHEMBL19468492 0.80 EPHX1 (0.43) DPP7GNAI3GNAO1GNAI1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3493856-B1 18F-LABELED TRIAZOLE CONTAINING PSMA INHIBITORS UNIV CORNELL (US) 2023-08-09 — — EP disclosed
WO-2022266753-A1 BIVALENT COMPOUNDS, CONJUGATES AND USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-29 — — WO disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 — — EP disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 — — EP disclosed
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