SCHEMBL21409056

SCHEMBL21409056

O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCCC2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 2/20 0.44
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA3 P32297 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ CHRNB3 Q05901 2/20 0.44
▸ CHRNA6 Q15825 2/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ TFPI2 P48307 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL18485326 0.98 HPGD (0.61) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL1299276 0.94 HPGD (0.65) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL1299273 0.94 HPGD (0.65) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL1299272 0.94 HPGD (0.65) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL18485328 0.92 HPGD (0.69) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL18485319 0.85 EPHX2 (0.51) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1117898 0.83 HPGD (0.81) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL3458439 0.82 HPGD (0.61) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL2946268 0.81 HPGD (0.78) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL2946264 0.81 HPGD (0.78) HPGDALDH1A1TSHRLMNACHRNB2

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-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 — — EP disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 — — WO disclosed
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