SCHEMBL29940732

SCHEMBL29940732

COCOc1c(Br)cccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SRC P12931 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
PTPN1 P18031 1/20 0.38
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL1806253 1.00 CA1 (0.45) CA1CA2SRCBACE1ALDH1A1
SCHEMBL1303053 0.86 CA1 (0.40) CA1CA2SRCBACE1ALDH1A1
SCHEMBL6048618 0.83 CA1 (0.47) CA1CA2SRCBACE1ALDH1A1
SCHEMBL10265246 0.83 LMNA (0.50) CA1CA2SRCALDH1A1SMN1; SMN2
SCHEMBL5807282 0.82 CA1 (0.39) CA1CA2SRCALDH1A1SMN1; SMN2
SCHEMBL5846257 0.82 PTPN1 (0.42) BACE1ALDH1A1SMN1; SMN2HPGDPTPN1
SCHEMBL2043979 0.81 PTPN1 (0.53) CA1CA2SRCBACE1ALDH1A1
SCHEMBL3214106 0.81 ALDH1A1 (0.47) CA1CA2SRCBACE1ALDH1A1
SCHEMBL1293351 0.80 CA1 (0.61) CA1CA2SRCALDH1A1TLR2
SCHEMBL9454738 0.80 CA1 (0.67) CA1CA2SRCBACE1ALDH1A1

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-115557929-A Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-01-03 CN disclosed
CN-109715612-B Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2022-09-16 CN disclosed