SCHEMBL22982032

SCHEMBL22982032

O=C(O)N1CCc2c(ccc(CO)c2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
ACACB O00763 1/20 0.34
PNMT P11086 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ABHD6 Q9BV23 2/20 0.34
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22982829 0.89 PNMT (0.37) ERCC1ERCC4ESR1ESR2ITGB2
SCHEMBL29390616 0.81 ESR2 (0.56) ESR2KMT2AACACB
SCHEMBL22993328 0.81 ESR2 (0.56) ESR2KMT2AACACB
SCHEMBL22981526 0.81 DRD2 (0.47) ERCC1ERCC4ESR1ESR2KMT2A
SCHEMBL18584701 0.79 ABHD6 (0.43) KMT2AALDH1A1HPGDABHD6HDAC8
SCHEMBL28931068 0.76 TAAR1 (0.36) ESR1ESR2KMT2AACACBALDH1A1
SCHEMBL22981745 0.74 NPC1 (0.35) ESR1ESR2KMT2ATDP1ALDH1A1
SCHEMBL28208680 0.73 NOTUM (0.35) KMT2AALDH1A1HPGDHTTABHD6
SCHEMBL22981727 0.71 NPC1 (0.35) KMT2AALDH1A1HPGDABHD6SMN1; SMN2
SCHEMBL17607348 0.71 RAC1 (0.38) ESR1ESR2KMT2AABHD6SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed