SCHEMBL9833569

SCHEMBL9833569

[C-]#[N+]C(CC)(CCSc1cc(OC)c(OC)c(OC)c1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 6/20 0.35
▸ TUBB P07437 6/20 0.35
▸ TUBA3C P0DPH7 6/20 0.35
▸ TUBA1B P68363 6/20 0.35
▸ TUBA4A P68366 6/20 0.35
▸ TUBB4B P68371 6/20 0.35
▸ TUBB3 Q13509 6/20 0.35
▸ TUBB2A Q13885 6/20 0.35
▸ TUBB8 Q3ZCM7 6/20 0.35
▸ TUBA3E Q6PEY2 6/20 0.35
▸ TUBA1A Q71U36 6/20 0.35
▸ TUBA1C Q9BQE3 6/20 0.35
▸ TUBB6 Q9BUF5 6/20 0.35
▸ TUBB2B Q9BVA1 6/20 0.35
▸ TUBB1 Q9H4B7 6/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34

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
SCHEMBL9833168 0.83 L3MBTL1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9832757 0.82 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9799313 0.81 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9799541 0.81 PTGS2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9832379 0.79 NPC1 (0.35) ALDH1A1HPGDMAPTCYP3A4CYP1A2
SCHEMBL9833083 0.79 OPRM1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9833650 0.78 MAPT (0.41) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL9799796 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTCYP3A4MEN1
SCHEMBL9832269 0.70 MAPT (0.36) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL9799824 0.68 NPC1 (0.35) L3MBTL1MEN1KMT2ACYP1A2CYP2C9

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-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 — — EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 — — US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 — — EP disclosed
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