SCHEMBL8909672

SCHEMBL8909672

CC(C)(C)COS(=O)(=O)c1ccc2c(C=O)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CASP6 P55212 1/20 0.33
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ELANE P08246 1/20 0.31
PRTN3 P24158 1/20 0.31

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
SCHEMBL8910994 0.83 CYP1A2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8910750 0.82 SLC9A1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3035282 0.73 CASP6 (0.52) CASP6ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27189378 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL196831 0.71 HSD17B1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL3563229 0.70 ENPP2 (0.40) ALDH1A1
SCHEMBL30274548 0.69 MEN1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL197879 0.69 MEN1 (0.44) ALDH1A1
SCHEMBL3562296 0.69 ATM (0.39)
SCHEMBL15009954 0.68 SCN9A (0.36) 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-5596095-A REMOVAL OF NEOPENTYL PROTECTING GROUPS AND REGENERATION OF PARENT DRUGS PROCEPT, INC. (US) 1997-01-21 US disclosed
WO-1996018609-A1 FORMATION AND UTILITY OF SULFONIC ACID PROTECTING GROUPS PROCEPT, INC. (US) 1996-06-20 WO disclosed