SCHEMBL6358939

SCHEMBL6358939

CCCC(C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MGLL Q99685 1/20 0.35
MAPK1 P28482 2/20 0.34
ELANE P08246 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 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
SCHEMBL4980283 0.89 ELANE (0.39) KDM4EALDH1A1ELANETDP1PPARA
SCHEMBL17476827 0.83 ALDH1A1 (0.42) KDM4EALDH1A1MGLLMAPK1TDP1
SCHEMBL19262085 0.80 CYP1A2 (0.37) ALDH1A1ELANETDP1PPARDPPARA
SCHEMBL3723070 0.79 ALDH1A1 (0.42) KDM4EALDH1A1MAPK1TDP1PPARD
SCHEMBL1452863 0.79 LTA4H (0.39) PPARANPSR1L3MBTL1CHRNA7
SCHEMBL18435485 0.78 THRB (0.42) ALDH1A1PPARAMAPTKMT2ARAB9A
SCHEMBL1351494 0.78 MEN1 (0.41) TDP1PPARAMEN1KMT2A
SCHEMBL1892567 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1PPARDPPARA
SCHEMBL15718370 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1PPARDPPARA
SCHEMBL4016237 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841334-B2 Onium salts and positive resist materials using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-11 US disclosed
US-20040076905-A1 Onium salts and positive resist materials using the same YAGIHASHI FUJIO (JP) 2004-04-22 US disclosed
US-20030096189-A1 ONIUM SALTS AND POSITIVE RESIST MATERIALS USING THE SAME YAGIHASHI FUJIO (JP) 2003-05-22 US disclosed
EP-0615163-B1 Positive resist material using particular onium salts SHINETSU CHEMICAL CO (JP) 1999-12-29 EP disclosed
EP-0615163-A1 Onium salts and positive resist materials using the same Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed