SCHEMBL21604006

SCHEMBL21604006

CCc1cc(OC)ccc1CN1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MTNR1B P49286 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ VEGFA P15692 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ STS P08842 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL18983290 0.81 MTNR1B (0.57) ALDH1A1MTNR1BEPHX2MGLLMMP1
SCHEMBL3856804 0.79 ALDH1A1 (0.52) ALDH1A1EPHX2SMN1; SMN2STSMEN1
SCHEMBL21608115 0.75 ALDH1A1 (0.43) ALDH1A1MGLLKDM4ESMN1; SMN2VEGFA
SCHEMBL23925168 0.75 ALDH1A1 (0.51) ALDH1A1MTNR1BEPHX2MGLLMMP1
SCHEMBL10039879 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2VEGFAEGLN1LMNA
SCHEMBL21607887 0.74 POLB (0.47) ALDH1A1KDM4ETDP1VEGFAEGLN1
SCHEMBL17515218 0.74 DRD2 (0.57) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21361667 0.73 ALDH1A1 (0.53) ALDH1A1MGLLKDM4EGAATDP1
SCHEMBL23924943 0.73 MGLL (0.46) ALDH1A1MTNR1BEPHX2MGLLMMP1
SCHEMBL892981 0.73 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2VEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO disclosed
Send feedback