SCHEMBL8148236

SCHEMBL8148236

CC1(C)CCCC(C)(C)N1Oc1ccccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
SIGMAR1 Q99720 2/20 0.36
KCNH2 Q12809 2/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
C5AR1 P21730 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7651087 0.83 L3MBTL1 (0.40) HRH3CYP2D6CYP2C19MEN1KMT2A
SCHEMBL8605624 0.76 TP53 (0.42) ALDH1A1POLBCYP3A4ALOX12MEN1
Alcohol SCHEMBL27455943 0.75 TDP1 (0.35) SIGMAR1ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL2356015 0.74 TDP1 (0.39) ALDH1A1POLBCYP2D6CYP2C19MEN1
SCHEMBL7027544 0.73 ELANE (0.41) ALDH1A1MEN1KMT2ADRD2
SCHEMBL19905519 0.71 HRH3 (0.33) HRH3SIGMAR1KCNH2ALDH1A1CYP1A2
SCHEMBL19905512 0.71 HRH3 (0.37) HRH3SIGMAR1KCNH2ALDH1A1POLB
SCHEMBL19905562 0.69 HRH3 (0.34) HRH3SIGMAR1KCNH2ALDH1A1CYP1A2
SCHEMBL6501299 0.69 CA4 (0.34) SIGMAR1KCNH2SLC6A3
SCHEMBL29474956 0.68 TAAR1 (0.64) HRH3SIGMAR1KCNH2ALDH1A1TAAR1

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
EP-0889918-B1 IN SITU BLOCK COPOLYMER FORMATION DURING POLYMERIZATION OF A VINYL AROMATIC MONOMER DOW CHEMICAL CO (US) 2000-03-22 EP disclosed
EP-0889918-A1 IN SITU BLOCK COPOLYMER FORMATION DURING POLYMERIZATION OF A VINYL AROMATIC MONOMER THE DOW CHEMICAL COMPANY (US) 1999-01-13 EP disclosed
US-5721320-A In situ block copolymer formation during polymerization of a vinyl aromatic monomer THE DOW CHEMICAL COMPANY (US) 1998-02-24 US disclosed
WO-1997036944-A1 IN SITU BLOCK COPOLYMER FORMATION DURING POLYMERIZATION OF A VINYL AROMATIC MONOMER THE DOW CHEMICAL COMPANY (US) 1997-10-09 WO disclosed