SCHEMBL28087158

SCHEMBL28087158

COC(=O)C1CCCN(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
ALDH1A1 P00352 7/20 0.52
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
CNR1 P21554 1/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL892980 0.91 NOTUM (0.69) NOTUMALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL24435477 0.91 NOTUM (0.69) NOTUMALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL20271741 0.86 NOTUM (0.57) NOTUMALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL14711365 0.86 MAPT (0.47) NOTUMALDH1A1POLBMAPTHTT
SCHEMBL14712094 0.86 MAPT (0.47) NOTUMALDH1A1POLBMAPTHTT
SCHEMBL31401390 0.86 KDM4E (0.46) ALDH1A1MAPTSMN1; SMN2CYP2C19KMT2A
SCHEMBL30589094 0.85 NOTUM (0.62) NOTUMALDH1A1MAPTCYP2C19KMT2A
SCHEMBL31175186 0.85 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2CYP2C19KMT2A
SCHEMBL25603132 0.84 NOTUM (0.53) NOTUMALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29735291 0.84 HSD11B1 (0.49) NOTUMALDH1A1POLBMAPK1KMT2A

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
CN-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 CN disclosed
CN-105764887-A Nitrogen-containing saturated heterocyclic compound 住友化学株式会社 2016-07-13 CN disclosed