SCHEMBL6286624

SCHEMBL6286624

C=Cc1cccc(OCC(C)(C)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
MAOA P21397 6/20 0.36
MAOB P27338 6/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SQLE Q14534 1/20 0.34
CYP3A4 P08684 1/20 0.34
LCK P06239 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRM5 P08912 1/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNB1 P14635 2/20 0.33

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
SCHEMBL6287454 0.80 CHRNA7 (0.50) TP53KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL410570 0.80 KDM4E (0.57) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL16952743 0.79 CYP2C19 (0.43) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL30988603 0.78 TDP1 (0.41) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL25560293 0.78 TDP1 (0.38) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL5033484 0.78 TP53 (0.43) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL412110 0.77 KMT2A (0.50) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL6280406 0.76 TDP1 (0.42) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1360315 0.76 TP53 (0.39) TDP1TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL12305040 0.76 L3MBTL1 (0.51) TP53SMN1; SMN2CYP3A4

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
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed