SCHEMBL16902875

SCHEMBL16902875

c1ccc2cc(OCC3CCC(COc4ccc5ccccc5c4)CC3)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.78
SLC6A4 P31645 6/20 0.78
HTR3A P46098 2/20 0.78
KCNH2 Q12809 2/20 0.78
SLC6A3 Q01959 3/20 0.69
AGXT P21549 2/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX5 P09917 1/20 0.52
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PTPN7 P35236 1/20 0.49
PDK2 Q15119 1/20 0.48

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
SCHEMBL20024437 1.00 SLC6A2 (0.78) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL22168428 0.91 SLC6A2 (0.71) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL23482986 0.89 SLC6A2 (0.64) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL14312038 0.84 SLC6A2 (0.77) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2298277 0.84 SLC6A2 (0.62) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2227832 0.82 SLC6A2 (1.00) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2228515 0.82 SLC6A2 (1.00) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2227826 0.82 SLC6A2 (1.00) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL19647896 0.81 KDM4E (0.59) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL8476825 0.81 SLC6A2 (0.55) SLC6A2SLC6A4HTR3AKCNH2SLC6A3

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