SCHEMBL18910941

SCHEMBL18910941

CC(=O)OC(C)c1ccc2cc(C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 2/20 0.43
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
TSHR P16473 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL10120468 0.85 UGT2B7 (0.55) CYP1A2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL7514315 0.85 UGT2B7 (0.55) CYP1A2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL11869634 0.84 CYP2A6 (0.41) CYP2A6CYP1A2AKR1C3AKR1C2TDP1
SCHEMBL15279347 0.83 UGT2B7 (0.49) CYP1A2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL13777889 0.82 LMNA (0.47) TDP1TSHRLMNAMAPT
SCHEMBL31607962 0.82 LMNA (0.47) TDP1TSHRLMNAMAPT
SCHEMBL18905287 0.82 AKR1C3 (0.40) CYP1A2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL13225230 0.82 AKR1C3 (0.62) CYP1A2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL15179688 0.81 AKR1C3 (0.46) AKR1C3AKR1C2TDP1L3MBTL1PTGS1
SCHEMBL11459191 0.80 TDP1 (0.55) CYP1A2AKR1C3AKR1C2TDP1L3MBTL1

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
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed