SCHEMBL9799405

SCHEMBL9799405

CCCC(CC)(c1cccs1)[N+](C)(C)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ TNFRSF1A P19438 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
Hydrochloric Acid SCHEMBL9799390 0.68 CYP3A4 (0.43) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10583553 0.68 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9799541 0.68 PTGS2 (0.39) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9831867 0.68 OPRM1 (0.40) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9833168 0.68 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9832757 0.68 TUBB4A (0.38) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9799289 0.67 OPRM1 (0.43) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9799232 0.66 OPRM1 (0.40) L3MBTL1ALDH1A1CYP3A4MEN1MAPT
SCHEMBL9799522 0.66 TUBB4A (0.39) L3MBTL1CYP3A4SMN1; SMN2BRD4CYP1A2
SCHEMBL9799313 0.65 TUBB4A (0.38) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP disclosed
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