SCHEMBL18776199

SCHEMBL18776199

CC(C)(CC(Br)c1ccccc1)C(=O)OCCF

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 1/20 0.36
CHRM1 P11229 7/20 0.35
CHRM3 P20309 7/20 0.35
CHRM2 P08172 6/20 0.35
CHRM4 P08173 5/20 0.35
CHRM5 P08912 1/20 0.35
KMT2A Q03164 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 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
SCHEMBL17264993 0.90 ATM (0.37) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL19367044 0.89 RIPK1 (0.33) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL19367029 0.89 KMT2A (0.40) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL106026 0.88 KMT2A (0.37) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL9906812 0.86 ATM (0.36) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL18776213 0.85 CYP4F2 (0.38) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL106429 0.84 PIN1 (0.45) ATML3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL19564927 0.83 KDM4E (0.37) ATML3MBTL1RIPK1CHRM1CHRM3
SCHEMBL19448925 0.83 CTRB1 (0.32)
SCHEMBL13313892 0.83 TSHR (0.40) ATML3MBTL1CHRM1CHRM3CHRM2

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-9768059-B1 High-chi block copolymers for interconnect structures by directed self-assembly INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-09-19 US disclosed
US-20170114246-A1 BLOCK COPOLYMERS FOR DIRECTED SELF-ASSEMBLY APPLICATIONS ELPIS TECHNOLOGIES INC. (CA) 2017-04-27 US disclosed