SCHEMBL8189447

SCHEMBL8189447

COc1ccc2[nH]c(=O)c(-c3ccccc3)c(C(=O)OC(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 2/20 0.51
MAPK10 P53779 1/20 0.50
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
ASAH1 Q13510 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49

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
SCHEMBL8189324 0.88 TUBB4A (0.48) PADI4MAPK10TUBB4ATUBBTUBA3C
SCHEMBL8182316 0.86 PADI4 (0.56) PADI4MAPK10TUBB4ATUBBTUBA3C
SCHEMBL8181582 0.85 MAPT (0.54) PADI4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7002128 0.83 ALDH1A1 (0.47) PADI4MAPK10TUBB4ATUBBTUBA3C
SCHEMBL6991657 0.77 ALDH1A1 (0.53) PADI4MAPK10TUBB4ATUBBTUBA3C
SCHEMBL14796674 0.72 KDM4E (0.60) PADI4MAPK10TUBB4ATUBBTUBA3C
SCHEMBL8173489 0.72 ALDH1A1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7825662 0.72 PADI4 (0.57) PADI4MAPK10TUBB4ATUBBTUBA3C
SCHEMBL4827488 0.71 CYP1A2 (0.62) ALDH1A1HPGDKDM4EPOLBSMN1; SMN2
SCHEMBL23468075 0.70 PADI4 (0.81) PADI4MAPK10ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114349-A Substituted quinoline derivatives with antiviral action HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed