SCHEMBL11657293

SCHEMBL11657293

CCCCCCOC=Cc1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.45
▸ MAPK14 Q16539 1/20 0.41
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APP P05067 4/20 0.34
▸ PTPN11 Q06124 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ SLC37A4 O43826 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL11659958 0.99 AKR1B1 (0.46) AKR1B1MAPK14MAPTMEN1KMT2A
SCHEMBL11663094 0.96 AKR1B1 (0.47) AKR1B1MAPK14MAPTMEN1KMT2A
SCHEMBL11654836 0.81 AKR1B1 (0.50) AKR1B1MAPK14MAPTMEN1KMT2A
SCHEMBL11845419 0.77 AKR1B1 (0.55) AKR1B1MAPK14MAPTSMN1; SMN2PTPN11
SCHEMBL11662112 0.77 AKR1B1 (0.55) AKR1B1MAPK14MAPTSMN1; SMN2PTPN11
SCHEMBL11661514 0.76 AKR1B1 (0.56) AKR1B1MAPK14MAPTMEN1KMT2A
SCHEMBL11570176 0.76 AKR1B1 (0.64) AKR1B1MAPK14PTPN11KDM4ETSHR
SCHEMBL11824625 0.76 AKR1B1 (0.64) AKR1B1MAPK14PTPN11KDM4ETSHR
SCHEMBL11570278 0.76 AKR1B1 (0.64) AKR1B1MAPK14PTPN11KDM4ETSHR
SCHEMBL11827878 0.76 AKR1B1 (0.64) AKR1B1MAPK14PTPN11KDM4ETSHR

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
US-4066663-A 6,11-Dihydrodibenzo-[b. e.]-thiepin-11-one-3-aldehyde and 3-acetal derivatives SYNTEX (U.S.A.) INC. (US) 1978-01-03 — — US claimed
US-4066663-A 6,11-Dihydrodibenzo-[b. e.]-thiepin-11-one-3-aldehyde and 3-acetal derivatives SYNTEX (U.S.A.) INC. (US) 1978-01-03 — — US disclosed
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