SCHEMBL9832757

SCHEMBL9832757

CCC(N)(CCSc1cc(OC)c(OC)c(OC)c1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 5/20 0.38
▸ TUBB P07437 5/20 0.38
▸ TUBA3C P0DPH7 5/20 0.38
▸ TUBA1B P68363 5/20 0.38
▸ TUBA4A P68366 5/20 0.38
▸ TUBB4B P68371 5/20 0.38
▸ TUBB3 Q13509 5/20 0.38
▸ TUBB2A Q13885 5/20 0.38
▸ TUBB8 Q3ZCM7 5/20 0.38
▸ TUBA3E Q6PEY2 5/20 0.38
▸ TUBA1A Q71U36 5/20 0.38
▸ TUBA1C Q9BQE3 5/20 0.38
▸ TUBB6 Q9BUF5 5/20 0.38
▸ TUBB2B Q9BVA1 5/20 0.38
▸ TUBB1 Q9H4B7 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36

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
SCHEMBL9833083 0.83 OPRM1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9833569 0.82 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL9799390 0.78 CYP3A4 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9833086 0.77 NPC1 (0.38) L3MBTL1ALDH1A1HPGDCYP3A4MEN1
SCHEMBL9831386 0.76 MAPT (0.45) L3MBTL1ALDH1A1KDM4EHPGDMEN1
SCHEMBL9832269 0.73 MAPT (0.36) ALDH1A1KDM4EHPGDCYP3A4MEN1
SCHEMBL27272132 0.68 ESR1 (0.32) ESR1
SCHEMBL11162193 0.68 HTR2A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12963223 0.68 AR (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10583553 0.68 L3MBTL1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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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