SCHEMBL5319243

SCHEMBL5319243

CC(=O)Cc1ccccc1OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CXCL8 P10145 2/20 0.42
CYP3A4 P08684 1/20 0.41
VNN1 O95497 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
TTR P02766 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL8080533 0.86 CXCL8 (0.58) L3MBTL1CXCL8CHRM1TTR
SCHEMBL6195827 0.84 L3MBTL1 (0.57) L3MBTL1CXCL8CYP3A4VNN1
SCHEMBL24200238 0.80 TBXAS1 (0.49) L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL29737506 0.79 L3MBTL1 (0.64) L3MBTL1CYP3A4MTNR1AMTNR1BMAPT
SCHEMBL266821 0.79 L3MBTL1 (0.64) L3MBTL1CYP3A4MTNR1AMTNR1BMAPT
SCHEMBL28220575 0.79 ALDH1A1 (0.49) L3MBTL1CYP3A4MTNR1AMTNR1BMAPT
SCHEMBL12056288 0.79 L3MBTL1 (0.50) L3MBTL1MAPTTSHR
SCHEMBL5427066 0.78 L3MBTL1 (0.62) L3MBTL1CYP3A4MAPTTSHRLMNA
SCHEMBL23085209 0.78 L3MBTL1 (0.62) L3MBTL1CXCL8CYP3A4MTNR1AMTNR1B
SCHEMBL25683684 0.78 L3MBTL1 (0.50) L3MBTL1CXCL8CYP3A4MTNR1AMTNR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007077141-A1 METHOD FOR PRODUCING SUBSTITUTED PHENYLACETYL CARBINOLS BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed