SCHEMBL6858822

SCHEMBL6858822

C=C(C)C(=O)OC(C)(C)C.C=Cc1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.41
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
NFKB1 P19838 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
JUN P05412 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 3/20 0.35

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
Styrene SCHEMBL4143998 0.93 MAPT (0.37) MAPTLMNATRIM24TRIM33NFKB1
SCHEMBL6371474 0.88 MAPT (0.33) MAPTLMNAELANEMAOB
SCHEMBL9131237 0.87 MAPT (0.35) MAPTLMNATDP1MAPK1KDM4E
Indene SCHEMBL6834259 0.85 CYP2D6 (0.36) MAPTLMNATDP1RAB9AMAPK1
SCHEMBL5670875 0.83 MAPT (0.41) MAPTLMNATRIM24TRIM33NFKB1
SCHEMBL3297240 0.83 ALDH1A1 (0.48) MAPTLMNATRIM24TRIM33NFKB1
SCHEMBL14815600 0.80 MAPT (0.33) MAPTLMNATDP1MAPK1KDM4E
Styrene SCHEMBL3400648 0.80 ALDH1A1 (0.45) MAPTNFKB1TDP1KDM4EATM
SCHEMBL7901257 0.79 MAPT (0.41) MAPTLMNATRIM24TRIM33NFKB1
SCHEMBL8964260 0.79 TDP1 (0.35) MAPTLMNANFKB1TDP1ATM

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-6835804-B2 Effecting deblocking reaction on an addition polymer in presence of acid catalyst SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20020111459-A1 Preparation of polymer, and resist composition using the polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-08-15 US disclosed