SCHEMBL9433482

SCHEMBL9433482

COC(=O)c1oc2ccc(OC)cc2c1OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 10/20 0.64
SMN1; SMN2 Q16637 8/20 0.64
HPGD P15428 6/20 0.64
HSD17B10 Q99714 4/20 0.64
TP53 P04637 1/20 0.64
HTT P42858 1/20 0.64
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ICAM1 P05362 2/20 0.48
SELE P16581 2/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
VCAM1 P19320 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL27280522 0.89 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6240452 0.88 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9433674 0.87 ICAM1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6239679 0.86 GAA (0.57) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9432759 0.83 EDNRA (0.54) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL27280517 0.81 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9432926 0.80 NPC1 (0.58) KDM4EALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL10870541 0.80 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL719907 0.79 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5734812 0.79 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed