SCHEMBL16902878

SCHEMBL16902878

c1ccc2cc(OC3CCC(Oc4ccc5ccccc5c4)CC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
IKBKB O14920 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
FPR2 P25090 2/20 0.46
PROKR1 Q8TCW9 2/20 0.46
AGXT P21549 2/20 0.45
HRH1 P35367 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL30477858 1.00 CYP1A2 (0.50) CYP1A2CYP2A6IKBKBDDB1CRBN
SCHEMBL15566046 0.91 CYP1A2 (0.47) CYP1A2CYP2A6IKBKBDDB1CRBN
SCHEMBL5368065 0.90 FAAH (0.50) CYP1A2CYP2A6IKBKBDDB1CRBN
SCHEMBL11063126 0.87 IKBKB (0.68) IKBKBDDB1CRBNSLC6A4SLC6A2
SCHEMBL15565641 0.86 IKBKB (0.41) CYP1A2CYP2A6IKBKBDDB1CRBN
Hydrochloric Acid SCHEMBL7452746 0.85 IKBKB (0.66) IKBKBDDB1CRBNSLC6A4SLC6A2
SCHEMBL23842763 0.82 SLC6A4 (0.60) IKBKBDDB1CRBNSLC6A4SLC6A2
SCHEMBL26438316 0.82 CYP1A2 (0.45) CYP1A2CYP2A6IKBKBDDB1CRBN
SCHEMBL2474271 0.81 L3MBTL1 (0.55) L3MBTL1SLC6A4SLC6A3FAAHEPHX1
SCHEMBL2474274 0.81 L3MBTL1 (0.55) L3MBTL1SLC6A4SLC6A3FAAHEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed