SCHEMBL6895045

SCHEMBL6895045

COc1cc(OC(C)=O)c(OC)c(C(C)=O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.55
CYP3A4 P08684 2/20 0.47
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
TUBB1 Q9H4B7 3/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45

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
SCHEMBL10498389 0.90 CYP3A4 (0.55) TNFSF11CYP3A4TSHRUSP2MAPK1
SCHEMBL6899605 0.79 HTT (0.53) CYP3A4USP2MAPK1SMN1; SMN2GAA
SCHEMBL4608589 0.79 CYP3A4 (0.56) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9752827 0.78 CYP3A4 (0.60) TNFSF11CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL21723164 0.78 TNFSF11 (0.83) TNFSF11CYP3A4TSHRSMN1; SMN2GAA
SCHEMBL8928654 0.78 TNFSF11 (0.83) TNFSF11CYP3A4TSHRSMN1; SMN2GAA
SCHEMBL27602532 0.78 TNFSF11 (0.83) TNFSF11CYP3A4TSHRSMN1; SMN2GAA
SCHEMBL24106160 0.77 POLB (0.60) TNFSF11CYP3A4TUBB4ATUBBTUBA3C
SCHEMBL12409067 0.77 POLB (0.53) TNFSF11CYP3A4TUBB4ATUBBTUBA3C
SCHEMBL10603104 0.76 TNFSF11 (0.53) TNFSF11CYP3A4TUBB4ATUBBTUBA3C

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-1094056-B1 Process for the preparation of monoacetylated hydrochinone compounds BASF AG (DE) 2004-02-25 EP disclosed
US-6476253-B1 Process for preparing monoacetylated hydroquinone compounds BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-1094056-A1 Process for the preparation of monoacetylated hydrochinone compounds BASF AKTIENGESELLSCHAFT (DE) 2001-04-25 EP disclosed