SCHEMBL21585490

SCHEMBL21585490

Cc1oc2c(c1-c1ccccc1)C(=O)CC(c1ccccc1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
TSHR P16473 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAP1LC3B Q9GZQ8 2/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL7685368 0.74 LMNA (0.58) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL28636166 0.73 BRD4 (0.47) LMNAALDH1A1HPGDHSD17B10KMT2A
SCHEMBL21585489 0.71 ALDH1A1 (0.51) LMNAALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7681208 0.66 LMNA (0.49) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7686913 0.65 LMNA (0.48) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7685234 0.65 ALOX15 (0.56) LMNAALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL7683058 0.64 LMNA (0.47) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7689499 0.64 LMNA (0.47) LMNAALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL21954834 0.63 MAPT (0.57) LMNAALDH1A1HSP90AA1HSP90AB1KMT2A
SCHEMBL21795161 0.63 MAP1LC3B (0.67) LMNAALDH1A1HPGDHSP90AA1HSP90AB1

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-108658907-B Sulfonyl substituted furan compounds with anti-inflammatory and immune activities and derivatives thereof 广东药科大学 2021-08-13 CN disclosed
WO-2019232664-A1 SULFONYL SUBSTITUTED FURAN COMPOUND HAVING ANTI-INFLAMMATORY IMMUNE ACTIVITY AND DERIVATIVE THEREOF 广东药科大学 (CN) 2019-12-12 WO disclosed