SCHEMBL7671780

SCHEMBL7671780

CCc1cc[c]c(CCc2ccc(OC)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
CALM1 P0DP23 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
AOC3 Q16853 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL7668663 0.82 TAAR1 (0.38) TAAR1HRH3IGF1RALOX15DAO
SCHEMBL7674074 0.82 CYP19A1 (0.50) CALM1AOC3DAOCYP19A1KDM4E
SCHEMBL7664380 0.81 TAAR1 (0.38) TAAR1AOC3MAOBIGF1RALOX15
SCHEMBL1776797 0.79 TRPA1 (0.34) TAAR1
SCHEMBL7670806 0.79 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7673825 0.79 CALM1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7671685 0.79 GAA (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7670255 0.78 ALDH1A1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7675265 0.77 LTA4H (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7669645 0.76 MAOB (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395730-B1 CARDIOVASCULAR DISORDERS ICAGEN, INC. 2002-05-28 US disclosed
US-6174908-B1 TREATING DISEASE, CONDITION, OR DISORDER WHICH RESPONDS TO INHIBITION OF POTASSIUM CHANNEL FUNCTION BY ADMINISTERING THIAZOLIDONE OR METATHIAZONONE COMPOUND, ITS SALT, AMIDE, ESTER, COMPLEX, CHELATE, HYDRATE, STEREOISOMER, METABOLITE ICAGEN, INC. 2001-01-16 US disclosed